Jacob D Durrant

Pitt ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 23

Top Venues

Journal of chemical information and modeling

Nucleic acids research

Journal of cheminformatics

PLoS computational biology

University of Pittsburgh

Brigham Young University (MSC)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Pittsburgh Sep 01 2016

United States

Assistant Professor :: Biological Sciences

Education History

Brigham Young University

United States

MSC :: Physiology and Developmental Biology

Brigham Young University

United States

BSC :: Mathematics

University of California San Diego

United States

PHD :: Biological Sciences

Publications

Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
MolModa: accessible and secure molecular docking in a web browser. Nucleic acids research 52 (W1) (2024)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Journal of chemical information and modeling 64 (12) (2024)
Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
MolModa: accessible and secure molecular docking in a web browser. Nucleic acids research (2024)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Journal of chemical information and modeling (2024)
Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
MolModa: accessible and secure molecular docking in a web browser. Nucleic acids research 52 (W1) (2024)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Journal of chemical information and modeling 64 (12) (2024)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Journal of chemical information and modeling 64 (12) (2024)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. Journal of chemical information and modeling (2024)
Erich Hellemann, Jacob D Durrant
Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational Sampling. Journal of chemical theory and computation (2023)
Erich Hellemann, Amrita Nallathambi, Jacob D Durrant
Allosteric inhibition of TEM-1 β lactamase: microsecond molecular dynamics simulations provide mechanistic insights. Protein science : a publication of the Protein Society (2023)
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. bioRxiv : the preprint server for biology (2023)
Nga H Nguyen, Srikant Sarangi, Erin M McChesney, Shaohu Sheng, Jacob D Durrant, Aidan W Porter, Thomas R Kleyman, Zachary W Pitluk, Jeffrey L Brodsky
Genome mining yields putative disease-associated ROMK variants with distinct defects. PLoS genetics 19 (11) (2023)
Jade Young, Neerja Garikipati, Jacob D Durrant
BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript. Journal of chemical information and modeling 62 (4) (2022)
Erich Hellemann, Jennifer L Walker, Mitchell A Lesko, Dakshayini G Chandrashekarappa, Martin C Schmidt, Allyson F O'Donnell, Jacob D Durrant
Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics. PLoS computational biology 18 (3) (2022)
Ann Wang, Jacob D Durrant
Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery. Molecules (Basel, Switzerland) 27 (14) (2022)
Harrison Green, David R Koes, Jacob D Durrant
DeepFrag: a deep convolutional neural network for fragment-based lead optimization. Chemical science 12 (23) (2021)
Harrison Green, Jacob D Durrant
DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization. Journal of chemical information and modeling 61 (6) (2021)
Kevin C Cassidy, Jan Šefčík, Yogindra Raghav, Alexander Chang, Jacob D Durrant
ProteinVR: Web-based molecular visualization in virtual reality. PLoS computational biology 16 (3) (2020)
Emily J Ha, Cara T Lwin, Jacob D Durrant
LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates. Journal of cheminformatics 12 (1) (2020)
Patrick J Ropp, Jacob O Spiegel, Jennifer L Walker, Harrison Green, Guillermo A Morales, Katherine A Milliken, John J Ringe, Jacob D Durrant
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening. Journal of cheminformatics 11 (1) (2019)
Sayuri Pacheco, Jesse C Kaminsky, Iurii K Kochnev, Jacob D Durrant
PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser. Journal of chemical information and modeling 59 (10) (2019)
Nivedita Rajendiran, Jacob D Durrant
Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques. Journal of computational chemistry 39 (12) (2017)
Milata M Abraham, Ryan E Denton, Richard W Harper, William L Scott, Martin J O'Donnell, Jacob D Durrant
Documenting and harnessing the biological potential of molecules in Distributed Drug Discovery (D3) virtual catalogs. Chemical biology & drug design 90 (5) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jacob D Durrant