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2Single-cell transcriptomics and epigenomics point to CD58-CD2 interaction in controlling primary melanoma growth and immunity
A. Stubenvoll, M. Schmidt, J. Moeller, M. Chango, C. Schultz, O. Antoniadou, H. Loeffler-Wirth, S. Bernhart, F. Große, B. Thier and 7 other author(s). Cancer Communications, (January 2025)
13 days ago by @scadsfct
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Yaff
melanoma
myown
single-cell
topic_lifescience
transcriptomics
Yaffmelanomamyownsingle-celltopic_lifesciencetranscriptomics
(0)
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1Utilizing transformers on OCT imagery and metadata for treatment response prediction in macular edema patients
S. Vahdati, D. Nagaraj, M. Bryan, S. Moazemi, S. Gründer-Fahrer, and M. Martin. Lecture Notes in Computer Science, Springer Nature Switzerland, Cham, (2023)
a month ago by @scadsfct
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OCT
Xack
edema
macular
prediction
response
topic_lifescience
transformers
treatment
OCTXackedemamacularpredictionresponsetopic_lifesciencetransformerstreatment
(0)
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2Self-supervised learning in histopathology: New perspectives for prostate cancer grading
M. Bauer, and C. Augenstein. Lecture Notes in Computer Science, Springer Nature Switzerland, Cham, (2024)
a month ago by @scadsfct
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Yaff
cancer
grading
histopathology
learning
prostate
self-supervised
topic_lifescience
Yaffcancergradinghistopathologylearningprostateself-supervisedtopic_lifescience
(0)
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1Neuromorphic hardware for sustainable AI data centers
B. Vogginger, A. Rostami, V. Jain, S. Arfa, A. Hantsch, D. Kappel, M. Schäfer, U. Faltings, H. Gonzalez, C. Liu and 1 other author(s). (2024)
2 months ago by @scadsfct
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area_responsibleai
topic_lifescience
area_responsibleaitopic_lifescience
(0)
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1A multimodal zebrafish developmental atlas reveals the state-transition dynamics of late-vertebrate pluripotent axial progenitors
M. Lange, A. Granados, S. VijayKumar, J. Bragantini, S. Ancheta, Y. Kim, S. Santhosh, M. Borja, H. Kobayashi, E. McGeever and 2 other author(s). Cell, 187 (23): 6742--6759 (2024)
2 months ago by @scadsfct
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topic_lifescience
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1Metrics reloaded: recommendations for image analysis validation
L. Maier-Hein, A. Reinke, P. Godau, M. Tizabi, F. Buettner, E. Christodoulou, B. Glocker, F. Isensee, J. Kleesiek, M. Kozubek and 2 other author(s). Nature methods, 21 (2): 195--212 (2024)
2 months ago by @scadsfct
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topic_lifescience
(0)
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1Gut Analysis Toolbox--automating quantitative analysis of enteric neurons
L. Sorensen, A. Humenick, S. Poon, M. Han, N. Mahdavian, M. Rowe, R. Hamnett, E. Gómez-de Mariscal, P. Neckel, A. Saito and 2 other author(s). Journal of Cell Science, (2024)
2 months ago by @scadsfct
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1Zebrahub--Multimodal zebrafish developmental atlas reveals the State-transition dynamics of late-vertebrate pluripotent axial progenitors
M. Lange, A. Granados, S. VijayKumar, J. Bragantini, S. Ancheta, S. Santhosh, M. Borja, H. Kobayashi, E. McGeever, A. Solak and 2 other author(s). BioRxiv, (2023)
2 months ago by @scadsfct
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1Slice2Volume: Fusion of multimodal medical imaging and light microscopy data of irradiation-injured brain tissue in 3D
J. Soltwedel, T. Suckert, E. Beyreuther, M. Schneider, M. Boucsein, E. Bodenstein, S. Nexhipi, L. Stolz-Kieslich, M. Krause, C. von Neubeck and 2 other author(s). Radiotherapy and Oncology, (2023)
2 months ago by @scadsfct
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topic_lifescience
(0)
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2Towards Transparency and Knowledge Exchange in AI- assisted Data Analysis Code Generation
R. Haase. (October 2024)
3 months ago by @scadsfct
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unit_transfer
topic_language
topic_lifescience
unit_transfertopic_languagetopic_lifescience
(0)
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1A comparative patient-level prediction study in OMOP CDM: applicative potential and insights from synthetic data
N. Ahmadi, {. Nguyen, M. Sedlmayr, and M. Wolfien. Scientific reports, (Jan 27, 2024)
3 months ago by @scadsfct
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Databases,
Electronic
FIS_scads
Factual,
Health
Humans,
Informatics,
Learning,
Machine
Medical
Records
topic_lifescience
Databases,ElectronicFIS_scadsFactual,HealthHumans,Informatics,Learning,MachineMedicalRecordstopic_lifescience
(0)
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1Automated quantification of photoreceptor outer segments in developing and degenerating retinas on microscopy images across scales
S. Seidemann, F. Salomon, {. Hoffmann, T. Kurth, {. Sbalzarini, R. Haase, and M. Ader. FRONTIERS IN MOLECULAR NEUROSCIENCE, (May 24, 2024)Copyright © 2024 Seidemann, Salomon, Hoffmann, Kurth, Sbalzarini, Haase and Ader..
3 months ago by @scadsfct
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unit_transfer
topic_lifescience
FIS_scads
imported
unit_transfertopic_lifescienceFIS_scadsimported
(0)
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1Efficient Raycasting of View-Dependent Piecewise Constant Representations of Volumetric Data
A. Gupta, U. Günther, P. Incardona, G. Reina, S. Frey, S. Gumhold, and {. Sbalzarini. WorkingPaper, (Jun 17, 2022)
3 months ago by @scadsfct
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topic_visualcomputing
topic_lifescience
FIS_scads
Human-centered
Visualization
Visualization,
and
computing,
concepts
paradigms,
techniques
theory,
topic_visualcomputingtopic_lifescienceFIS_scadsHuman-centeredVisualizationVisualization,andcomputing,conceptsparadigms,techniquestheory,
(0)
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1Content-adaptive generation and parallel compositing of volumetric depth images for responsive visualization of large volume data
A. Gupta, P. Incardona, P. Hunt, G. Reina, S. Frey, S. Gumhold, U. Günther, and {. Sbalzarini. WorkingPaper, (Jun 29, 2022)
3 months ago by @scadsfct
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topic_visualcomputing
topic_lifescience
FIS_scads
Human-centered
Visualization
Visualization,
and
computing,
concepts
paradigms
techniques
theory,
topic_visualcomputingtopic_lifescienceFIS_scadsHuman-centeredVisualizationVisualization,andcomputing,conceptsparadigmstechniquestheory,
(0)
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1Streamlining intersectoral provision of real-world health data: a service platform for improved clinical research and patient care
K. Hoffmann, I. Nesterow, Y. Peng, E. Henke, D. Barnett, C. Klengel, M. Gruhl, M. Bartos, F. Nüßler, R. Gebler and 7 other author(s). Frontiers in medicine, (2024)Copyright © 2024 Hoffmann, Nesterow, Peng, Henke, Barnett, Klengel, Gruhl, Bartos, Nüßler, Gebler, Grummt, Seim, Bathelt, Reinecke, Wolfien, Weidner and Sedlmayr..
3 months ago by @scadsfct
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imported
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(0)
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1Towards Standardizing Ophthalmic Data for Seamless Interoperability in Eye Care
K. Hoffmann, Y. Peng, T. Schlosser, G. Stolze, H. Langner, M. Susky, T. Meyer, M. Ritter, D. Kowerko, V. Kakkassery and 2 other author(s). Studies in health technology and informatics, (Aug 30, 2024)Publisher Copyright: © 2024 The Authors..
3 months ago by @scadsfct
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topic_lifescience
Diseases/therapy,
Electronic
Eye
FIS_scads
Germany,
Health
Humans,
Information
Interoperability/standards,
Learning,
Level
Machine
Ophthalmology
Records/standards,
Seven/standards,
topic_lifescienceDiseases/therapy,ElectronicEyeFIS_scadsGermany,HealthHumans,InformationInteroperability/standards,Learning,LevelMachineOphthalmologyRecords/standards,Seven/standards,
(0)
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1Leptin deficiency-caused behavioral change - A comparative analysis using EthoVision and DeepLabCut
D. Bühler, N. Power Guerra, L. Müller, O. Wolkenhauer, M. Düffer, B. Vollmar, A. Kuhla, and M. Wolfien. Frontiers in neuroscience, (Mar 24, 2023)Publisher Copyright: Copyright © 2023 Bühler, Power Guerra, Müller, Wolkenhauer, Düffer, Vollmar, Kuhla and Wolfien..
3 months ago by @scadsfct
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topic_lifescience
Behavioral
Deep
DeepLabCut,
EthoVision,
FIS_scads
Obesity
analysis,
learning,
topic_lifescienceBehavioralDeepDeepLabCut,EthoVision,FIS_scadsObesityanalysis,learning,
(0)
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1CCR2 macrophage response determines the functional outcome following cardiomyocyte transplantation
P. Vasudevan, M. Wolfien, H. Lemcke, {. Lang, A. Skorska, R. Gaebel, A. Galow, D. Koczan, T. Lindner, W. Bergmann and 6 other author(s). Genome medicine, (Aug 10, 2023)Publisher Copyright: © 2023, BioMed Central Ltd., part of Springer Nature..
3 months ago by @scadsfct
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topic_lifescience
Animals,
C57BL,
Cardiac/metabolism,
Cell
FIS_scads
Immunocompromised,
Inbred
Infarction,
Machine
Macrophages,
Macrophages/metabolism,
Mice,
Monocytes/metabolism
Myocardial
Myocytes,
Single-cell,
infarction,
learning,
therapy,
topic_lifescienceAnimals,C57BL,Cardiac/metabolism,CellFIS_scadsImmunocompromised,InbredInfarction,MachineMacrophages,Macrophages/metabolism,Mice,Monocytes/metabolismMyocardialMyocytes,Single-cell,infarction,learning,therapy,
(0)
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1Ten Topics to Get Started in Medical Informatics Research
M. Wolfien, N. Ahmadi, K. Fitzer, S. Grummt, K. Heine, I. Jung, D. Krefting, A. Kühn, Y. Peng, I. Reinecke and 7 other author(s). Journal of Medical Internet Research, (Jul 24, 2023)Publisher Copyright: ©Markus Wolfien, Najia Ahmadi, Kai Fitzer, Sophia Grummt, Kilian-Ludwig Heine, Ian-C Jung, Dagmar Krefting, Andreas Kühn, Yuan Peng, Ines Reinecke, Julia Scheel, Tobias Schmidt, Paul Schmücker, Christina Schüttler, Dagmar Waltemath, Michele Zoch, Martin Sedlmayr..
3 months ago by @scadsfct
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topic_lifescience
Algorithms,
Clinical
Curriculum,
Digital
FIS_scads
Germany,
Health
Humans,
Informatics,
Interdisciplinary
Medical
Research
clinical
communication,
data,
digital
health
health,
informatics
informatics,
interdisciplinary
medical
research
topic_lifescienceAlgorithms,ClinicalCurriculum,DigitalFIS_scadsGermany,HealthHumans,Informatics,InterdisciplinaryMedicalResearchclinicalcommunication,data,digitalhealthhealth,informaticsinformatics,interdisciplinarymedicalresearch
(0)
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2Artificial Intelligence Reporting Guidelines' Adherence in Nephrology for Improved Research and Clinical Outcomes
{. Salybekov, M. Wolfien, W. Hahn, S. Hidaka, and S. Kobayashi. Biomedicines, (Mar 7, 2024)Publisher Copyright: © 2024 by the authors..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1How to customize common data models for rare diseases: an OMOP-based implementation and lessons learned
N. Ahmadi, M. Zoch, O. Guengoeze, C. Facchinello, A. Mondorf, K. Stratmann, K. Musleh, H. Erasmus, J. Tchertov, R. Gebler and 13 other author(s). Orphanet journal of rare diseases, (Aug 14, 2024)© 2024. The Author(s)..
3 months ago by @scadsfct
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topic_lifescience
Diseases
FIS_scads
Humans,
Rare
topic_lifescienceDiseasesFIS_scadsHumans,Rare
(0)
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1Methods Used in the Development of Common Data Models for Health Data: Scoping Review
N. Ahmadi, M. Zoch, P. Kelbert, R. Noll, J. Schaaf, M. Wolfien, and M. Sedlmayr. JMIR medical informatics, (Aug 3, 2023)Publisher Copyright: © 2023 The British Editorial..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1Synthetic Data Generation in Hematology - Paving the Way for OMOP and FHIR Integration
W. Hahn, N. Ahmadi, K. Hoffmann, J. Eckardt, M. Sedlmayr, and M. Wolfien. Studies in health technology and informatics, (Aug 22, 2024)Publisher Copyright: © 2024 The Authors..
3 months ago by @scadsfct
show all tags
topic_lifescience
Acute,
Assessment,
Care
Electronic
FIS_scads
Health
Hematology,
Humans,
Information
Interoperability,
Leukemia,
Myeloid,
Outcome
Records,
topic_lifescienceAcute,Assessment,CareElectronicFIS_scadsHealthHematology,Humans,InformationInteroperability,Leukemia,Myeloid,OutcomeRecords,
(0)
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1Challenges and applications in generative AI for clinical tabular data in physiology
C. Umesh, M. Mahendra, S. Bej, O. Wolkenhauer, and M. Wolfien. Pflügers Archiv : European journal of physiology, (Oct 17, 2024)© 2024. The Author(s)..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1Netrank: network-based approach for biomarker discovery
A. Al-Fatlawi, E. Rusadze, A. Shmelkin, N. Malekian, C. Ozen, C. Pilarsky, and M. Schroeder. BMC bioinformatics, (Jul 29, 2023)Publisher Copyright: © 2023, The Author(s)..
3 months ago by @scadsfct
show all tags
topic_lifescience
Algorithms,
Area
Biomedical
Curve,
Disease
FIS_scads
Gene
Humans,
Library
Progression,
Research,
Under
topic_lifescienceAlgorithms,AreaBiomedicalCurve,DiseaseFIS_scadsGeneHumans,LibraryProgression,Research,Under
(0)
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1Word-based GWAS harnesses the rich potential of genomic data for E. coli quinolone resistance
N. Malekian, S. Sainath, A. Al-Fatlawi, and M. Schroeder. Frontiers in microbiology, (2023)Copyright © 2023 Malekian, Sainath, Al-Fatlawi and Schroeder..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1Diatom adhesive trail proteins acquired by horizontal gene transfer from bacteria serve as primers for marine biofilm formation
J. Zackova Suchanova, G. Bilcke, B. Romanowska, A. Fatlawi, M. Pippel, A. Skeffington, M. Schroeder, W. Vyverman, K. Vandepoele, N. Kröger and 1 other author(s). New Phytologist, 240 (2): 770--783 (Aug 7, 2023)Publisher Copyright: © 2023 The Authors New Phytologist © 2023 New Phytologist Foundation. We acknowledge the support of the Core Facility Mass Spectrometry & Proteomics, Light Microscopy Facility and the Dresden‐concept Genome Center of the Technology Platform of the Center for Molecular and Cellular Bioengineering (CMCB) of the TU Dresden..
3 months ago by @scadsfct
show all tags
topic_lifescience
Adhesives/metabolism,
Bacteria
Biofilms,
Diatoms/metabolism,
FIS_scads
Gene
Horizontal,
Transfer,
topic_lifescienceAdhesives/metabolism,BacteriaBiofilms,Diatoms/metabolism,FIS_scadsGeneHorizontal,Transfer,
(0)
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1Is Protein BLAST a thing of the past?
A. Al-Fatlawi, M. Menzel, and M. Schroeder. Nature communications, (Dec 11, 2023)
3 months ago by @scadsfct
show all tags
topic_lifescience
Databases,
FIS_scads
Protein,
Proteins/genetics
topic_lifescienceDatabases,FIS_scadsProtein,Proteins/genetics
(0)
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1The Rad52 SSAP superfamily and new insight into homologous recombination
A. Al-Fatlawi, M. Schroeder, and {. Stewart. Communications biology, (Jan 23, 2023)Funding Information: We gratefully acknowledge support from ZIH of TU Dresden and the BMBF Project scads.ai..
3 months ago by @scadsfct
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topic_lifescience
DNA
FIS_scads
Homologous
Protein/genetics
Rad52
Recombination
Recombination,
Repair
and
topic_lifescienceDNAFIS_scadsHomologousProtein/geneticsRad52RecombinationRecombination,Repairand
(0)
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1Spontaneous flow instabilities of active polar fluids in three dimensions
A. Singh, Q. Vagne, F. Jülicher, and {. Sbalzarini. Physical Review Research, (April 2023)Funding Information: Acknowledgments. This work was supported by the Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) Dresden/Leipzig, funded by the Federal Ministry of Education and Research (BMBF, Bundesministerium für Bildung und Forschung). We thank the Scientific Computing Facility of MPI-CBG and the Center for Information Services and High Performance Computing (ZIH) of TU Dresden for providing the compute resources for the numerical simulations. We thank Philipp Suhrcke (Sbalzarini group) and the anonymous referees for their constructive comments. Publisher Copyright: © 2023 authors. Published by the American Physical Society..
3 months ago by @scadsfct
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topic_lifescience
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imported
topic_lifescienceFIS_scadsimported
(0)
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1Inverse Dirichlet weighting enables reliable training of physics informed neural networks
S. Maddu, D. Sturm, {. Mueller, and {. Sbalzarini. Machine learning: science and technology, (Feb 15, 2022)Funding Information: This work was supported by the German Research Foundation (DFG) – EXC-2068, Cluster of Excellence ‘Physics of Life’, and by the Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) Dresden/Leipzig, funded by the Federal Ministry of Education and Research (BMBF). The present work was also partly funded by the Center for Advanced Systems Understanding (CASUS), which is financed by Germany’s Federal Ministry of Education and Research (BMBF) and by the Saxon Ministry for Science, Culture and Tourism (SMWK) with tax funds on the basis of the budget approved by the Saxon State Parliament. Publisher Copyright: © 2022 The Author(s). Published by IOP Publishing Ltd..
3 months ago by @scadsfct
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topic_lifescience
ALGORITHM
FIS_scads
active
catastrophic
flow
forgetting,
gradient
modeling,
multi-objective
multi-scale
networks,
neural
physics-informed
regularization,
training,
turbulence,
topic_lifescienceALGORITHMFIS_scadsactivecatastrophicflowforgetting,gradientmodeling,multi-objectivemulti-scalenetworks,neuralphysics-informedregularization,training,turbulence,
(0)
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1STENCIL-NET for equation-free forecasting from data
S. Maddu, D. Sturm, {. Cheeseman, {. Müller, and {. Sbalzarini. Scientific reports, (December 2023)Publisher Copyright: © 2023, Springer Nature Limited..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1A numerical solver for active hydrodynamics in three dimensions and its application to active turbulence
A. Singh, {. Suhrcke, P. Incardona, and {. Sbalzarini. Physics of fluids, (Oct 1, 2023)Publisher Copyright: © 2023 Author(s)..
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
imported
topic_lifescienceFIS_scadsimported
(0)
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1A Unifying Mathematical Definition of Particle Methods
J. Pahlke, and {. Sbalzarini. IEEE open journal of the computer society : an open access publication of the IEEE Computer Society, (2023)Publisher Copyright: © 2020 IEEE..
3 months ago by @scadsfct
show all tags
topic_lifescience
Algorithmics,
FIS_scads
algorithms,
definition,
engineering
formal
mesh-free
methods,
parallelization,
particle
simulation
software
topic_lifescienceAlgorithmics,FIS_scadsalgorithms,definition,engineeringformalmesh-freemethods,parallelization,particlesimulationsoftware
(0)
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1Learning deterministic hydrodynamic equations from stochastic active particle dynamics
S. Maddu, Q. Vagne, and {. Sbalzarini. WorkingPaper, (Jan 21, 2022)
3 months ago by @scadsfct
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topic_lifescience
FIS_scads
cond-mat.soft,
cs.LG,
physics.data-an
topic_lifescienceFIS_scadscond-mat.soft,cs.LG,physics.data-an
(0)
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1Parallel Discrete Convolutions on Adaptive Particle Representations of Images
J. Jonsson, {. Cheeseman, S. Maddu, K. Gonciarz, and {. Sbalzarini. IEEE Transactions on Image Processing, (Jan 1, 2022)Publisher Copyright: © 1992-2012 IEEE..
3 months ago by @scadsfct
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topic_lifescience
Convolution,
Data
FIS_scads
Image
Microscopy,
Signal
processing,
reconstruction,
resolution
resolution,
structures,
topic_lifescienceConvolution,DataFIS_scadsImageMicroscopy,Signalprocessing,reconstruction,resolutionresolution,structures,
(0)
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1A C++ Library for Memory Layout and Performance Portability of Scientific Applications
P. Incardona, A. Gupta, S. Yaskovets, and {. Sbalzarini. Euro-Par 2022, page 109--120. Germany, Springer Science and Business Media B.V., (2023)Publisher Copyright: © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.; 28th International European Conference on Parallel and Distributed Computing , Euro-Par 2022 ; Conference date: 22-08-2022 Through 26-08-2022.
3 months ago by @scadsfct
show all tags
topic_lifescience
C++
FIS_scads
GPU,
algorithms,
generic
layout,
memory
multi-core,
performance
portability
tuples,
topic_lifescienceC++FIS_scadsGPU,algorithms,genericlayout,memorymulti-core,performanceportabilitytuples,
(0)
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1Adaptive weighting of Bayesian physics informed neural networks for multitask and multiscale forward and inverse problems
S. Perez, S. Maddu, {. Sbalzarini, and P. Poncet. Journal of computational physics, (Oct 15, 2023)Publisher Copyright: © 2023 The Author(s).
3 months ago by @scadsfct
show all tags
topic_lifescience
Adaptive
Artificial
Bayesian
Carlo,
FIS_scads
Hamiltonian
Intelligence,
Monte
Multi-objective
Quantification
Uncertainty
learning,
networks,
neural
physics-informed
training,
weight
topic_lifescienceAdaptiveArtificialBayesianCarlo,FIS_scadsHamiltonianIntelligence,MonteMulti-objectiveQuantificationUncertaintylearning,networks,neuralphysics-informedtraining,weight
(0)
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1Stability selection enables robust learning of differential equations from limited noisy data
S. Maddu, {. Cheeseman, {. Sbalzarini, and {. Müller. Proceedings of the Royal Society of London : Series A, Mathematical, physical and engineering sciences, (June 2022)Publisher Copyright: © 2022 Royal Society Publishing. All rights reserved..
3 months ago by @scadsfct
show all tags
topic_lifescience
FIS_scads
PAR
differential
equations,
learning
learning,
machine
proteins,
regression,
selection,
sparse
stability
statistical
theory
topic_lifescienceFIS_scadsPARdifferentialequations,learninglearning,machineproteins,regression,selection,sparsestabilitystatisticaltheory
(0)
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2Genomic events stratifying prognosis of early gastric cancer
C. Molinari, L. Solaini, F. Rebuzzi, G. Tedaldi, D. Angeli, E. Petracci, D. Prascevic, J. Ewald, E. Rahm, M. Canale and 1 other author(s). Gastric Cancer, (2024)
3 months ago by @scadsfct
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topic_lifescience
area_bigdata
ep
imported
topic_lifesciencearea_bigdataepimported
(0)
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2Targeting adhesion G protein-coupled receptors. Current status and future perspectives
F. Liessmann, L. von Bredow, J. Meiler, and r. Liebscher, Ines. Structure, (November 2024)
3 months ago by @scadsfct
show all tags
topic_lifescience
ADGRG1;
ADGRG2;
ADGRG3;
ADGRG5;
ADGRG6;
ADGRG7;
GPCRs;
GPR114;
GPR126;
GPR128;
GPR56;
GPR64;
GPR97;
adhesion
area_bigdata
discovery;
drug
ep
ligands;
molecules;
small
structure
topic_lifescienceADGRG1;ADGRG2;ADGRG3;ADGRG5;ADGRG6;ADGRG7;GPCRs;GPR114;GPR126;GPR128;GPR56;GPR64;GPR97;adhesionarea_bigdatadiscovery;drugepligands;molecules;smallstructure
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1Adeno-associated virus serotype 2 capsid variants for improved liver-directed gene therapy
N. Meumann, M. Cabanes-Creus, M. Ertelt, R. Navarro, J. Lucifora, Q. Yuan, K. Nien-Huber, A. Abdelrahman, X. Vu, L. Zhang and 1 other author(s). Hepatology, 77 (3): 802--815 (2023)
3 months ago by @scadsfct
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1Divergent Pairwise Epistasis in the Context of Unstable Membrane Protein Variants
L. Chamness, C. Kuntz, A. McKee, W. Penn, C. Hemmerich, D. Rusch, H. Woods, Dyotima, J. Meiler, and J. Schlebach. (December 2023)
3 months ago by @scadsfct
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1Self-supervised machine learning methods for protein design improve sampling, but not the identification of high-fitness variants
M. Ertelt, R. Moretti, J. Meiler, and C. Schoeder. (June 2024)
3 months ago by @scadsfct
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1Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis
J. DeCorte, B. Brown, and J. Meiler. (June 2024)
3 months ago by @scadsfct
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1Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties
D. Sala, P. Hildebrand, and J. Meiler. Frontiers in Molecular Biosciences, (February 2023)
3 months ago by @scadsfct
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1VUStruct: a compute pipeline for high throughput and personalized structural biology
C. Moth, J. Sheehan, A. Mamun, R. Sivley, A. Gulsevin, D. Rinker, J. Capra, and J. Meiler. (August 2024)
3 months ago by @scadsfct
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1Computer-Aided Design and Biological Evaluation of Diazaspirocyclic D4R Antagonists
C. Jones, B. Brown, D. Schultz, J. Engers, V. Kramlinger, J. Meiler, and C. Lindsley. ACS Chemical Neuroscience, 15 (12): 2396â2407 (June 2024)
3 months ago by @scadsfct
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1Approximating conformational Boltzmann distributions with AlphaFold2 predictions
B. Brown, R. Stein, J. Meiler, and H. Mchaourab. (August 2023)
3 months ago by @scadsfct
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1Template-free prediction of a new monotopic membrane protein fold and assembly by AlphaFold2
A. Gulsevin, B. Han, J. Porta, H. Mchaourab, J. Meiler, and A. Kenworthy. Biophysical Journal, 122 (11): 2041â2052 (June 2023)
3 months ago by @scadsfct
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1Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by Alphafold2
A. Gulsevin, B. Han, J. Porta, H. Mchaourab, J. Meiler, and A. Kenworthy. (July 2022)
3 months ago by @scadsfct
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1Benchmarking Peptide Structure Prediction with AlphaFold2
A. Gulsevin, and J. Meiler. (February 2022)
3 months ago by @scadsfct
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1Modeling conformational states of proteins with AlphaFold
D. Sala, F. Engelberger, H. Mchaourab, and J. Meiler. Current Opinion in Structural Biology, (August 2023)
3 months ago by @scadsfct
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1Heterogeneity of the GFP fitness landscape and data-driven protein design
L. Gonzalez Somermeyer, A. Fleiss, A. Mishin, N. Bozhanova, A. Igolkina, J. Meiler, M. Alaball Pujol, E. Putintseva, K. Sarkisyan, and F. Kondrashov. eLife, (May 2022)
3 months ago by @scadsfct
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1An Active Learning Framework Improves Tumor Variant Interpretation
A. Blee, B. Li, T. Pecen, J. Meiler, Z. Nagel, J. Capra, and W. Chazin. Cancer Research, 82 (15): 2704â2715 (June 2022)
3 months ago by @scadsfct
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1Sampling alternative conformational states of transporters and receptors with AlphaFold2
D. del Alamo, D. Sala, H. Mchaourab, and J. Meiler. eLife, (March 2022)
3 months ago by @scadsfct
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1Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
Y. Liu, Y. Wang, O. Vu, R. Moretti, B. Bodenheimer, J. Meiler, and T. Derr. Proceedings of the AAAI Conference on Artificial Intelligence, 37 (12): 14356â14364 (June 2023)
3 months ago by @scadsfct
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1Benchmarking AlphaMissense Pathogenicity Predictions Against Cystic Fibrosis Variants
E. McDonald, K. Oliver, J. Schlebach, J. Meiler, and L. Plate. (October 2023)
3 months ago by @scadsfct
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1SuperWater: Predicting Water Molecule Positions on Protein Structures by Generative AI
X. Kuang, z. su, Y. Liu, X. Lin, J. Smith, T. Derr, Y. Wu, and J. Meiler. (November 2024)
3 months ago by @scadsfct
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1Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and Limitations
B. Brown, R. Stein, J. Meiler, and H. Mchaourab. Journal of Chemical Theory and Computation, 20 (3): 1434â1447 (January 2024)
3 months ago by @scadsfct
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1Benchmarking AlphaMissense pathogenicity predictions against cystic fibrosis variants
E. McDonald, K. Oliver, J. Schlebach, J. Meiler, and L. Plate. PLOS ONE, 19 (1): e0297560 (January 2024)
3 months ago by @scadsfct
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1Machine learning application to predict binding affinity between peptide containing non-canonical amino acids and HLA0201
S. Jiang, Z. Su, N. Bloodworth, Y. Liu, C. Martina, D. Harrison, and J. Meiler. (November 2024)
3 months ago by @scadsfct
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1Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery
B. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Frontiers in Pharmacology, (February 2022)
3 months ago by @scadsfct
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1Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods
M. Fischer, J. Crowe, and J. Meiler. PLOS Computational Biology, 18 (12): e1010230 (December 2022)
3 months ago by @scadsfct
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1Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins
M. Ertelt, V. Mulligan, J. Maguire, S. Lyskov, R. Moretti, T. Schiffner, J. Meiler, and C. Schoeder. PLOS Computational Biology, 20 (3): e1011939 (March 2024)
3 months ago by @scadsfct
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1Predicting the functional impact of KCNQ1 variants with artificial neural networks
S. Phul, G. Kuenze, C. Vanoye, C. Sanders, A. George, and J. Meiler. PLOS Computational Biology, 18 (4): e1010038 (April 2022)
3 months ago by @scadsfct
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1A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins
B. Li, J. Mendenhall, J. Capra, and J. Meiler. Journal of Proteome Research, 20 (8): 4089â4100 (July 2021)
3 months ago by @scadsfct
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1Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign
G. Sliwoski, J. Mendenhall, and J. Meiler. Journal of Computer-Aided Molecular Design, 30 (3): 209â217 (December 2015)
3 months ago by @scadsfct
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1Strandâloopâstrand motifs: Prediction of hairpins and diverging turns in proteins
M. Kuhn, J. Meiler, and D. Baker. Proteins: Structure, Function, and Bioinformatics, 54 (2): 282â288 (December 2003)
3 months ago by @scadsfct
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1Towards Generalizable Predictions for the Effects of Mutations on G-Protein Coupled Receptor Expression
C. Kuntz, H. Woods, A. McKee, N. Zelt, J. Mendenhall, J. Meiler, and J. Schlebach. (December 2021)
3 months ago by @scadsfct
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1Using Neural Networks for 13C NMR Chemical Shift PredictionâComparison with Traditional Methods
J. Meiler, W. Maier, M. Will, and R. Meusinger. Journal of Magnetic Resonance, 157 (2): 242â252 (August 2002)
3 months ago by @scadsfct
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13D Deep Learning for Biological Function Prediction from Physical Fields
V. Golkov, M. Skwark, A. Mirchev, G. Dikov, A. Geanes, J. Mendenhall, J. Meiler, and D. Cremers. 2020 International Conference on 3D Vision (3DV), (November 2020)
3 months ago by @scadsfct
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1Computational Methods in Drug Discovery
G. Sliwoski, S. Kothiwale, J. Meiler, and E. Lowe. Pharmacological Reviews, 66 (1): 334â395 (December 2013)
3 months ago by @scadsfct
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1BCL::EMAS â Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR
G. Sliwoski, E. Lowe, M. Butkiewicz, and J. Meiler. Molecules, 17 (8): 9971â9989 (August 2012)
3 months ago by @scadsfct
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1A Novel Method for Guiding Protein-Ligand Docking with QSAR-Derived Pharmacophore Maps
S. DeLuca, and J. Meiler. Biophysical Journal, 100 (3): 394aâ395a (February 2011)
3 months ago by @scadsfct
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1Predicting the Functional Impact of KCNQ1 Variants with Artificial Neural Networks
S. Phul, G. Kuenze, C. Vanoye, C. Sanders, A. George, and J. Meiler. (December 2021)
3 months ago by @scadsfct
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1Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions
V. Golkov, A. Becker, D. Plop, D. Čuturilo, N. Davoudi, J. Mendenhall, R. Moretti, J. Meiler, and D. Cremers. (2020)
3 months ago by @scadsfct
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1Quantitative StructureâActivity Relationship Modeling of Kinase Selectivity Profiles
S. Kothiwale, C. Borza, A. Pozzi, and J. Meiler. Molecules, 22 (9): 1576 (September 2017)
3 months ago by @scadsfct
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1Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks
J. Meiler, and M. Will. Journal of Chemical Information and Computer Sciences, 41 (6): 1535â1546 (October 2001)
3 months ago by @scadsfct
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1Heterogeneity of the GFP fitness landscape and data-driven protein design
L. Somermeyer, A. Fleiss, A. Mishin, N. Bozhanova, A. Igolkina, J. Meiler, M. Pujol, E. Putintseva, K. Sarkisyan, and F. Kondrashov. (December 2021)
3 months ago by @scadsfct
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1Coupled prediction of protein secondary and tertiary structure
J. Meiler, and D. Baker. Proceedings of the National Academy of Sciences, 100 (21): 12105â12110 (October 2003)
3 months ago by @scadsfct
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1Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes
A. Geanes, H. Cho, K. Nance, K. McGowan, P. Conn, C. Jones, J. Meiler, and C. Lindsley. Bioorganic & Medicinal Chemistry Letters, 26 (18): 4487â4491 (September 2016)
3 months ago by @scadsfct
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1Sampling the conformational landscapes of transporters and receptors with AlphaFold2
D. del Alamo, D. Sala, H. Mchaourab, and J. Meiler. (November 2021)
3 months ago by @scadsfct
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1A unified hydrophobicity scale for multispan membrane proteins
J. Koehler, N. Woetzel, R. Staritzbichler, C. Sanders, and J. Meiler. Proteins: Structure, Function, and Bioinformatics, 76 (1): 13â29 (December 2008)
3 months ago by @scadsfct
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1BCL::Mol2Dâa robust atom environment descriptor for QSAR modeling and lead optimization
O. Vu, J. Mendenhall, D. Altarawy, and J. Meiler. Journal of Computer-Aided Molecular Design, 33 (5): 477â486 (April 2019)
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1Neural Network Prediction of 13C NMR Chemical Shifts of Substituted Benzenes
J. Meiler, R. Meusinger, and M. Will. Monatshefte fÃ¼r Chemie / Chemical Monthly, 130 (9): 1089â1095 (September 1999)
3 months ago by @scadsfct
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1Improving quantitative structureâactivity relationship models using Artificial Neural Networks trained with dropout
J. Mendenhall, and J. Meiler. Journal of Computer-Aided Molecular Design, 30 (2): 177â189 (February 2016)
3 months ago by @scadsfct
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13D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators
E. Lowe, A. Ferrebee, A. Rodriguez, P. Conn, and J. Meiler. Bioorganic & Medicinal Chemistry Letters, 20 (19): 5922â5924 (October 2010)
3 months ago by @scadsfct
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1General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps
B. Brown, J. Mendenhall, A. Geanes, and J. Meiler. Journal of Chemical Information and Modeling, 61 (2): 603â620 (January 2021)
3 months ago by @scadsfct
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1Application of machine learning approaches on quantitative structure activity relationships
M. Butkiewicz, R. Mueller, D. Selic, E. Dawson, and J. Meiler. 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, (March 2009)
3 months ago by @scadsfct
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1GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data
E. Lowe, M. Butkiewicz, N. Woetzel, and J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (May 2012)
3 months ago by @scadsfct
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1Bcl&#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs Disease
M. Butkiewicz, E. Lowe, and J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (May 2012)
3 months ago by @scadsfct
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1Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks
J. Meiler, R. Meusinger, and M. Will. Journal of Chemical Information and Computer Sciences, 40 (5): 1169â1176 (August 2000)
3 months ago by @scadsfct
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1Epothilones: Quantitative Structure Activity Relations Studied by Support Vector Machines and Artificial Neural Networks
A. Bleckmann, and J. Meiler. QSAR & Combinatorial Science, 22 (7): 722â728 (October 2003)
3 months ago by @scadsfct
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1Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database
M. Butkiewicz, E. Lowe, R. Mueller, J. Mendenhall, P. Teixeira, C. Weaver, and J. Meiler. Molecules, 18 (1): 735â756 (January 2013)
3 months ago by @scadsfct
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1Novel methods of automated structure elucidation based on 13C NMR spectroscopy
J. Meiler, and M. KÃ¶ck. Magnetic Resonance in Chemistry, 42 (12): 1042â1045 (October 2004)
3 months ago by @scadsfct
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1Improved prediction of trans-membrane spans in proteins using an artificial neural network
J. Koehler, R. Mueller, and J. Meiler. 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, (March 2009)
3 months ago by @scadsfct
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1Comparative analysis of machine learning techniques for the prediction of logP
E. Lowe, M. Butkiewicz, M. Spellings, A. Omlor, and J. Meiler. 2011 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (April 2011)
3 months ago by @scadsfct
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1Discovery of 2â(2âBenzoxazoyl amino)â4âArylâ5âCyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptorâ5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound
R. Mueller, E. Dawson, J. Meiler, A. Rodriguez, B. Chauder, B. Bates, A. Felts, J. Lamb, U. Menon, S. Jadhav and 9 other author(s). ChemMedChem, 7 (3): 406â414 (January 2012)
3 months ago by @scadsfct
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1NetRank Recovers Known Cancer Hallmark Genes as Universal Biomarker Signature for Cancer Outcome Prediction
A. Al-Fatlawi, N. Afrin, C. Ozen, N. Malekian, and M. Schroeder. Frontiers in Bioinformatics, (March 2022)
3 months ago by @scadsfct
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