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1GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data
E. Lowe, M. Butkiewicz, N. Woetzel, und J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (Mai 2012)
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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), (Mai 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 (Oktober 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 (Januar 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 (Oktober 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, (März 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 (Januar 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, (März 2022)
3 months ago by @scadsfct
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1Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances
S. Bolz, and M. Schroeder. Expert Opinion on Drug Discovery, 18 (9): 973–985 (Juli 2023)
3 months ago by @scadsfct
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1A genome-wide scan of wastewater E. coli for genes under positive selection: focusing on mechanisms of antibiotic resistance
N. Malekian, A. Agrawal, T. Berendonk, A. Al-Fatlawi, and M. Schroeder. Scientific Reports, (Mai 2022)
3 months ago by @scadsfct
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1A community effort in SARS‐CoV‐2 drug discovery
J. Schimunek, P. Seidl, K. Elez, T. Hempel, T. Le, F. Noé, S. Olsson, L. Raich, R. Winter, H. Gokcan and 142 other author(s). Molecular Informatics, (November 2023)
3 months ago by @scadsfct
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1An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds
P. Schake, K. Dishnica, F. Kaiser, C. Leberecht, V. Haupt, and M. Schroeder. Scientific Reports, (Juni 2023)
3 months ago by @scadsfct
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1Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening
M. Adasme, S. Bolz, A. Al-Fatlawi, and M. Schroeder. Journal of Cheminformatics, (März 2022)
3 months ago by @scadsfct
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1Targeting ion channels with ultra-large library screening for hit discovery
K. Melancon, P. Pliushcheuskaya, J. Meiler, and G. Künze. Frontiers in Molecular Neuroscience, (Januar 2024)
3 months ago by @scadsfct
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1Ferric reduction by a CYBDOM protein counteracts increased iron availability in root meristems induced by phosphorus deficiency
R. Maniero, C. Picco, A. Hartmann, F. Engelberger, A. Gradogna, J. Scholz-Starke, M. Melzer, G. Künze, A. Carpaneto, N. von Wirén and 1 other author(s). Nature Communications, (Januar 2024)
3 months ago by @scadsfct
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1Similar Binding Modes of cGMP Analogues Limit Selectivity in Modulating Retinal CNG Channels via the Cyclic Nucleotide-Binding Domain
P. Pliushcheuskaya, S. Kesh, E. Kaufmann, S. Wucherpfennig, F. Schwede, G. Künze, and V. Nache. ACS Chemical Neuroscience, 15 (8): 1652–1668 (April 2024)
3 months ago by @scadsfct
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1Structural Studies on the Binding Mode of Bisphenols to PPARγ
A. Useini, I. Schwerin, G. Künze, and N. Sträter. Biomolecules, 14 (6): 640 (Mai 2024)
3 months ago by @scadsfct
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1Combining Rosetta Sequence Design with Protein Language Model Predictions Using Evolutionary Scale Modeling (ESM) as Restraint
M. Ertelt, J. Meiler, and C. Schoeder. ACS Synthetic Biology, 13 (4): 1085--1092 (2024)
3 months ago by @scadsfct
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topic_lifescience
ESM
combining
design
protein
rosetta
sequence
topic_lifescienceESMcombiningdesignproteinrosettasequence
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1MutationExplorer: a webserver for mutation of proteins and 3D visualization of energetic impacts
M. Philipp, C. Moth, N. Ristic, J. Tiemann, F. Seufert, A. Panfilova, J. Meiler, P. Hildebrand, A. Stein, D. Wiegreffe and 1 other author(s). Nucleic Acids Research, (2024)
3 months ago by @scadsfct
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3d
mutation
mutationexplorer
proteins
webserver
topic_lifescience3dmutationmutationexplorerproteinswebserver
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1Backbone chemical shift and secondary structure assignments for mouse siderocalin
J. Moeller, N. Bozhanova, M. Voehler, J. Meiler, and C. Schoeder. Biomolecular NMR Assignments, 18 (1): 79--84 (2024)
3 months ago by @scadsfct
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backbone_chemical_shift
mouse_siderocalin
secondary_structure_assignment
topic_lifesciencebackbone_chemical_shiftmouse_siderocalinsecondary_structure_assignment
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1Modifying immune responses to adeno-associated virus vectors by capsid engineering
M. Bentler, R. Hardet, M. Ertelt, D. Rudolf, D. Kaniowska, A. Schneider, F. Vondran, C. Schoeder, M. Delphin, J. Lucifora and 1 other author(s). Molecular Therapy-Methods & Clinical Development, (2023)
3 months ago by @scadsfct
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adeno_virus
capsid_engineering
immune
modifying
responses
topic_lifescienceadeno_viruscapsid_engineeringimmunemodifyingresponses
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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 I. Sbalzarini. (Juni 2022)
3 months ago by @scadsfct
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1Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences
D. Alamo, J. Meiler, and H. Mchaourab. (Mai 2022)
3 months ago by @scadsfct
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1Efficient Raycasting of Volumetric Depth Images for Remote Visualization of Large Volumes at High Frame Rates
A. Gupta, U. Günther, P. Incardona, G. Reina, S. Frey, S. Gumhold, and I. Sbalzarini. 2023 IEEE 16th Pacific Visualization Symposium (PacificVis), 19, page 61�70. IEEE, (April 2023)
4 months ago by @scadsfct
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1Model-based autotuning of discretization methods in numerical simulations of partial differential equations
N. Khouzami, F. Michel, P. Incardona, J. Castrillon, and I. Sbalzarini. Journal of Computational Science, (Januar 2022)
4 months ago by @scadsfct
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topic_software
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1Roadmap on Deep Learning for Microscopy
G. Volpe, C. W�hlby, L. Tian, M. Hecht, A. Yakimovich, K. Monakhova, L. Waller, I. Sbalzarini, C. Metzler, M. Xie and 65 other author(s). (2023)
4 months ago by @scadsfct
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1Analysis of the Hamiltonian Monte Carlo genotyping algorithm on PROVEDIt mixtures including a novel precision benchmark
M. Susik, and I. Sbalzarini. Forensic Science International: Genetics, (2023)
4 months ago by @scadsfct
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topic_lifescience
DNA
HMC
Probabilistic
Validation,
genotyping,
mixtures,
topic_lifescienceDNAHMCProbabilisticValidation,genotyping,mixtures,
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1Computational Power of Particle Methods
J. Pahlke, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
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1Quantifying Molecular Dynamics within Complex Cellular Morphologies using LLSM?FRAP (Small Methods 6/2022)
H. Colin?York, J. Heddleston, E. Wait, N. Karedla, M. deSantis, S. Khuon, T. Chew, I. Sbalzarini, and M. Fritzsche. Small Methods, (Juni 2022)
4 months ago by @scadsfct
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1A portable C++ library for memory and compute abstraction on multi?core CPUs and GPUs
P. Incardona, A. Gupta, S. Yaskovets, and I. Sbalzarini. Concurrency and Computation: Practice and Experience, (Juli 2023)
4 months ago by @scadsfct
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1A Gaussian jump process formulation of the reaction�diffusion master equation enables faster exact stochastic simulations
T. Subic, and I. Sbalzarini. The Journal of Chemical Physics, (November 2022)
4 months ago by @scadsfct
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1A high-order fully Lagrangian particle level-set method for dynamic surfaces
L. Schulze, S. Veettil, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
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1Hamiltonian Monte Carlo with strict convergence criteria reduces run-to-run variability in forensic DNA mixture deconvolution
M. Susik, H. Schönborn, and I. Sbalzarini. Forensic Science International: Genetics, (September 2022)
4 months ago by @scadsfct
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1Proven Distributed Memory Parallelization of Particle Methods
J. Pahlke, and I. Sbalzarini. (18.09.2024)
4 months ago by @scadsfct
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topic_lifescience
algorithmics,
algorithms,
bounds,
definition,
distributed
engineering
formal
memory,
meshfree
methods,
parallelization,
particle
scalability
simulation
software
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1Variational inference accelerates accurate DNA mixture deconvolution
M. Susik, and I. Sbalzarini. Forensic Science International: Genetics, (Juli 2023)
4 months ago by @scadsfct
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1Collective cell migration during optic cup formation features changing cell-matrix interactions linked to matrix topology
K. Soans, A. Ramos, J. Sidhaye, A. Krishna, A. Solomatina, K. Hoffmann, R. Schl��ler, J. Guck, I. Sbalzarini, C. Modes and 1 other author(s). Current Biology, 32 (22): 4817--4831.e9 (2022)
4 months ago by @scadsfct
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topic_lifescience
cell
collective
cup,
matrix
migration,
optic
simulation
topology
topology,
zebrafish,
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1A Distributed Algebra System for Time Integration on Parallel Computers
A. Singh, L. Kraatz, P. Incardona, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
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1Learning locally dominant force balances in active particle systems
D. Sturm, S. Maddu, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
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1IsUMap: Manifold Learning and Data Visualization leveraging Vietoris-Rips filtrations
L. Barth, Fatemeh, Fahimi, P. Joharinad, J. Jost, and J. Keck. (2024)
5 months ago by @scadsfct
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1Geometry of Data
P. Joharinad, and J. Jost. (2022)
5 months ago by @scadsfct
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1Fuzzy simplicial sets and their application to geometric data analysis
L. Barth, Fatemeh, Fahimi, P. Joharinad, J. Jost, J. Keck, and T. Mikhail. (2024)
5 months ago by @scadsfct
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1Entropically damped artificial compressibility for the discretization corrected particle strength exchange method in incompressible fluid mechanics
A. Singh, I. Sbalzarini, and A. Obeidat. Computers & Fluids, (Dezember 2023)
5 months ago by @scadsfct
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1Live and Interactive 3D Photomanipulation under the Microscope using Virtual Reality
J. Tiemann, M. McGinity, I. Sbalzarini, and U. Günther. Extended Abstracts of the 2024 CHI Conference on Human Factors in Computing Systems, New York, NY, USA, Association for Computing Machinery, (2024)
5 months ago by @scadsfct
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topic_lifescience
control,
human-computer
interaction,
microscope
reality,
virtual
visualization
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1Transcriptome-guided annotation and functional classification of long non-coding RNAs in Arabidopsis thaliana
J. Corona-Gomez, E. Coss-Navarrete, I. Garcia-Lopez, C. Klapproth, J. Pérez-Patiño, and S. Fernandez-Valverde. Scientific Reports, 12 (1): 14063 (August 2022)
5 months ago by @scadsfct
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1The Leipzig Health Atlas - An open platform to present, archive and share bio-medical data, analyses and models online
T. Kirsten, F. Meineke, H. Löffler-Wirth, A. Uciteli, C. Beger, S. Stäubert, M. Löbe, R. Hänsel, F. Rauscher, J. Schuster and 9 other author(s). Methods of Information in Medicine, (August 2022)
5 months ago by @scadsfct
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1Towards the interpretability of deep learning models for multi-modal neuroimaging: Finding structural changes of the ageing brain
S. Hofmann, F. Beyer, S. Lapuschkin, O. Goltermann, M. Loeffler, K. M√ºller, A. Villringer, W. Samek, and A. Witte. NeuroImage, (2022)
5 months ago by @scadsfct
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topic_neuroinspired
topic_lifescience
Ageing,
Brain-age,
Cardiovascular
Explainable
Structural
a.i.,
deep
factors,
learning
mri,
risk
topic_neuroinspiredtopic_lifescienceAgeing,Brain-age,CardiovascularExplainableStructurala.i.,deepfactors,learningmri,risk
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1Small integral membrane protein 10 like 1 enhances differentiation of adipose progenitor cells
M. Nebe, S. Kehr, S. Schmitz, J. Breitfeld, J. Lorenz, D. Le Duc, P. Stadler, J. Meiler, W. Kiess, A. Garten and 1 other author(s). Biochemical and Biophysical Research Communications, (März 2022)
5 months ago by @scadsfct
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1Facts and Hopes on the Use of Artificial Intelligence for Predictive Immunotherapy Biomarkers in Cancer
N. Laleh, M. Ligero, R. Perez-Lopez, and J. Kather. Clinical Cancer Research, (September 2022)
5 months ago by @scadsfct
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Publikationen (verstecken)259 Anzeigeallesnur PublikationenPublikationen pro Seite5102050100 sortieren nachhinzugefügt amTitelAutorErscheinungsdatumEintragstypHilfe für erweiterte Sortierung... RSSBibTeXRDFmehr...

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