H Lee Woodcock

17PUBLICATIONS
78CO-AUTHORS
Biologically active moleculesComputational complexity and computabilityPolymers and plasticsToxicology (incl. clinical toxicology)Theoretical quantum chemistry
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Publications (17)

|Apr 13, 2026
Aromatic Residues in Mobile Regions Distal to the Active Site Support the Closed Conformation of E. coli DXPS.

Lydia J Kramer, Steven L Austin, Ananya Majumdar

|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|Mar 28, 2024
The reaction mechanism of the Ideonella sakaiensis PETase enzyme.

Tucker Burgin, Benjamin C Pollard, Brandon C Knott

|Feb 23, 2024
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase.

Eucolona M Toci, Steven L Austin, Ananya Majumdar

|May 27, 2023
Exploring Routes to Enhance the Calculation of Free Energy Differences via Non-Equilibrium Work SQM/MM Switching Simulations Using Hybrid Charge Intermediates between MM and SQM Levels of Theory or Non-Linear Switching Schemes.

Andreas Schöller, H Lee Woodcock, Stefan Boresch

|May 13, 2022
Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

Nicole E Avalon, Jordan Nafie, Carolina De Marco Verissimo

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Frequent Collaborators

5 joint publications

Stefan Boresch

3 joint publications

Fiona L Kearns

3 joint publications

Luke Warrensford

2 joint publications

Michael F Crowley