foldingdiff产品(microsoft/foldingdiff)
Diffusion models of protein structure; trigonometry and attention are all you need!
Jupyter NotebookMIT★ 568
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina论文
Nucleic Acids Research2024引用: 438
Drug repositioning: Progress and challenges in drug discovery for various diseases论文
European Journal of Medicinal Chemistry2022引用: 223
Targeted drug delivery strategies for precision medicines论文
Nature Reviews Materials2021引用: 1.1K
Overcoming cancer therapeutic bottleneck by drug repurposing论文
Signal Transduction and Targeted Therapy2020引用: 504
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen论文
Nature Communications2019引用: 356
Therapeutic target database 2020: enriched resource for facilitating research and early development of targeted therapeutics论文
Nucleic Acids Research2019引用: 829
Molegro Virtual Docker for Docking论文
Methods in molecular biology2019引用: 301
Deep reinforcement learning for de novo drug design论文
Science Advances2018引用: 1.1K
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties论文
Bioinformatics2018引用: 1.4K
Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein论文
Computational and Mathematical Methods in Medicine2018引用: 241
Plasticity in binding confers selectivity in ligand-induced protein degradation论文
Nature Chemical Biology2018引用: 622
Open Targets Platform: new developments and updates two years on论文
Nucleic Acids Research2018引用: 524
Inhibitors of protein–protein interactions (PPIs): an analysis of scaffold choices and buried surface area论文
Current Opinion in Chemical Biology2018引用: 263
Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration论文
Scientific Reports2017引用: 365
The National Cancer Institute ALMANAC: A Comprehensive Screening Resource for the Detection of Anticancer Drug Pairs with Enhanced Therapeutic Activity论文
Cancer Research2017引用: 385
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics论文
Nucleic Acids Research2017引用: 549
Drug combination therapy increases successful drug repositioning论文
Drug Discovery Today2016引用: 439
Small molecules, big targets: drug discovery faces the protein–protein interaction challenge论文
Nature Reviews Drug Discovery2016引用: 1.1K
Growth rate inhibition metrics correct for confounders in measuring sensitivity to cancer drugs论文
Nature Methods2016引用: 732
第 1-20 条，共 51 条
上一页下一页