Jacob Devin Durrant
Affiliations: | 2010 | Biomedical Sciences | University of California, San Diego, La Jolla, CA |
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"Jacob Durrant"Mean distance: 8.42 | S | N | B | C | P |
Parents
Sign in to add mentorJ. Andrew McCammon | grad student | 2010 | UCSD | |
(Computational drug design applied to neglected disease.) |
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Publications
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Ahmed M, Maldonado AM, Durrant JD. (2023) From byte to bench to bedside: molecular dynamics simulations and drug discovery. Bmc Biology. 21: 299 |
Ahmed M, Maldonado AM, Durrant JD. (2023) From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery. Arxiv |
Bhatt R, Koes DR, Durrant JD. (2023) CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Biorxiv : the Preprint Server For Biology |
Hellemann E, Durrant JD. (2023) Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational Sampling. Journal of Chemical Theory and Computation. 19: 5677-5689 |
Hellemann E, Durrant JD. (2023) Worth the weight: Sub-Pocket EXplorer (SubPEx), a weighted-ensemble method to enhance binding-pocket conformational sampling. Biorxiv : the Preprint Server For Biology |
van Wieren A, Durrant JD, Majumdar S. (2023) Computational and experimental analyses of alanine racemase suggest new avenues for developing allosteric small-molecule antibiotics. Drug Development Research |
Green H, Koes DR, Durrant JD. (2021) DeepFrag: a deep convolutional neural network for fragment-based lead optimization. Chemical Science. 12: 8036-8047 |
Spiegel JO, Van Houten B, Durrant JD. (2021) PARP1: Structural insights and pharmacological targets for inhibition. Dna Repair. 103: 103125 |
Spiegel JO, Durrant JD. (2020) AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization. Journal of Cheminformatics. 12: 25 |
Kochnev Y, Hellemann E, Cassidy KC, et al. (2020) Webina: An Open-Source Library and Web App that Runs AutoDock Vina Entirely in the Web Browser. Bioinformatics (Oxford, England) |