scadsfct > topic_lifescience

bookmarks (hide)
display
all
bookmarks only
bookmarks per page
5
10
20
50
100
sort by
added at
title
RSS
BibTeX
XML

No matching posts.

⟨⟨
⟨
⟩
⟩⟩

publications (hide)259
display
all
publications only
publications per page
5
10
20
50
100
sort by
added at
title
author
publication date
entry type
help for advanced sorting...
RSS
BibTeX
RDF
more...

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
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Approximating conformational Boltzmann distributions with AlphaFold2 predictions
B. Brown, R. Stein, J. Meiler, and H. Mchaourab. (August 2023)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Benchmarking Peptide Structure Prediction with AlphaFold2
A. Gulsevin, and J. Meiler. (February 2022)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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)
3 months ago by @scadsfct
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
imported
topic_lifescience
importedtopic_lifescience
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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 (July 2023)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (May 2022)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (June 2023)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (March 2022)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Targeting ion channels with ultra-large library screening for hit discovery
K. Melancon, P. Pliushcheuskaya, J. Meiler, and G. Künze. Frontiers in Molecular Neuroscience, (January 2024)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (January 2024)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Structural Studies on the Binding Mode of Bisphenols to PPARγ
A. Useini, I. Schwerin, G. Künze, and N. Sträter. Biomolecules, 14 (6): 640 (May 2024)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
ESM
combining
design
protein
rosetta
sequence
topic_lifescienceESMcombiningdesignproteinrosettasequence
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
3d
mutation
mutationexplorer
proteins
webserver
topic_lifescience3dmutationmutationexplorerproteinswebserver
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
backbone_chemical_shift
mouse_siderocalin
secondary_structure_assignment
topic_lifesciencebackbone_chemical_shiftmouse_siderocalinsecondary_structure_assignment
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
adeno_virus
capsid_engineering
immune
modifying
responses
topic_lifescienceadeno_viruscapsid_engineeringimmunemodifyingresponses
(0)
copydeleteadd this publication to your clipboard
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. (June 2022)
3 months ago by @scadsfct
show all tags
topic_visualcomputing
topic_lifescience
imported
topic_visualcomputingtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences
D. Alamo, J. Meiler, and H. Mchaourab. (May 2022)
3 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_visualcomputing
topic_lifescience
imported
topic_visualcomputingtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (January 2022)
4 months ago by @scadsfct
show all tags
topic_software
topic_lifescience
imported
topic_softwaretopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_physchemistry
topic_mathfoundation
topic_lifescience
imported
topic_physchemistrytopic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
DNA
HMC
Probabilistic
Validation,
genotyping,
mixtures,
topic_lifescienceDNAHMCProbabilisticValidation,genotyping,mixtures,
(0)
copydeleteadd this publication to your clipboard
1Computational Power of Particle Methods
J. Pahlke, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (June 2022)
4 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (July 2023)
4 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Proven Distributed Memory Parallelization of Particle Methods
J. Pahlke, and I. Sbalzarini. (Sep 18, 2024)
4 months ago by @scadsfct
show all tags
topic_lifescience
algorithmics,
algorithms,
bounds,
definition,
distributed
engineering
formal
memory,
meshfree
methods,
parallelization,
particle
scalability
simulation
software
topic_lifesciencealgorithmics,algorithms,bounds,definition,distributedengineeringformalmemory,meshfreemethods,parallelization,particlescalabilitysimulationsoftware
(0)
copydeleteadd this publication to your clipboard
1Variational inference accelerates accurate DNA mixture deconvolution
M. Susik, and I. Sbalzarini. Forensic Science International: Genetics, (July 2023)
4 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
cell
collective
cup,
matrix
migration,
optic
simulation
topology
topology,
zebrafish,
topic_lifesciencecellcollectivecup,matrixmigration,opticsimulationtopologytopology,zebrafish,
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Learning locally dominant force balances in active particle systems
D. Sturm, S. Maddu, and I. Sbalzarini. CoRR, (2023)
4 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_mathfoundation
topic_lifescience
imported
topic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
1Geometry of Data
P. Joharinad, and J. Jost. (2022)
5 months ago by @scadsfct
show all tags
topic_mathfoundation
topic_lifescience
imported
topic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_mathfoundation
topic_lifescience
imported
topic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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, (December 2023)
5 months ago by @scadsfct
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
control,
human-computer
interaction,
microscope
reality,
virtual
visualization
topic_lifesciencecontrol,human-computerinteraction,microscopereality,virtualvisualization
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
area_bigdata
topic_mathfoundation
topic_lifescience
imported
area_bigdatatopic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
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
(0)
copydeleteadd this publication to your clipboard
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, (March 2022)
5 months ago by @scadsfct
show all tags
topic_mathfoundation
topic_lifescience
imported
topic_mathfoundationtopic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard
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
show all tags
topic_lifescience
imported
topic_lifescienceimported
(0)
copydeleteadd this publication to your clipboard

bookmarks (hide) displayallbookmarks onlybookmarks per page5102050100 sort byadded attitle RSSBibTeXXML

publications (hide)259 displayallpublications onlypublications per page5102050100 sort byadded attitleauthorpublication dateentry typehelp for advanced sorting... RSSBibTeXRDFmore...

browse

related tags

tags

bookmarks (hide)
display
all
bookmarks only
bookmarks per page
5
10
20
50
100
sort by
added at
title
RSS
BibTeX
XML

publications (hide)259
display
all
publications only
publications per page
5
10
20
50
100
sort by
added at
title
author
publication date
entry type
help for advanced sorting...
RSS
BibTeX
RDF
more...