Jacob Durrant

Associate Professor

Pittsburgh, Pennsylvania, United States
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Summary

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Senior
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Jacob D. Durrant is an associate professor of Biological Sciences at the University of Pittsburgh with a decade of experience developing and applying computer-aided drug discovery and computational structural biology methods to infectious disease and cancer targets. He leads the Durrant Lab in combining machine learning, big data, docking, and molecular dynamics to predict ligand poses and probe how protein motions influence binding, translating computational insight into experimentally validated inhibitors. His tool-driven approach has produced widely used algorithms (e.g., NNScore, POVME, BINANA, AutoGrow) and large-scale simulations, including contributions to one of the largest atomistic virion models ever assembled. Trained at UC San Diego and Brigham Young University, he blends deep quantitative skills in mathematics and modeling with a knack for practical software that accelerates drug-discovery campaigns. An unusual strength is his history of turning algorithmic advances into shared, user-friendly software that directly enabled follow-on animal-testing campaigns.
code10 years of coding experience
job15 years of employment as a software developer
bookUniversity of California San Diego
bookMasters of Science, Physiology and Developmental Biology, Masters of Science, Physiology and Developmental Biology at Brigham Young University
languagesEnglish, Portuguese, Spanish
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Github Skills (63)

webgl10
enumerated10
typescript10
virtual-screening10
webvr10
3d10
game-engine9
genetic-algorithm9
graphic9
computational-chemistry9
babylonjs9
autodock9
remote-server9
game-development9
rendering-engine9

Programming languages (7)

TypeScriptC++CJavaScriptHTMLJupyter NotebookPython

Github contributions (5)

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durrantlab/gypsum_dl

Jun 2023 - Nov 2025

Open-source tool to generate 3D-ready small molecules for virtual screening
Contributions:6 releases, 5 pushes, 15 branches in 2 years 5 months
3dvirtual-screening
jcheminform/gypsum_dl

Aug 2018 - Jul 2020

Contributions:18 commits in 1 year 11 months
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