Henry Woodcock

Professor

University of South Florida

United States

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About

Henry Woodcock is a Professor at the University of South Florida, located in the United States. His research primarily focuses on enzyme mechanisms, molecular simulations, and the development of novel computational protocols. Recent articles reflect his interests in enzymatic reactions, free energy calculations, and molecular dynamics, specifically regarding antibacterial targets and chiral compounds.

Articles (9)

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2024

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2024

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2023

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2022

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2022

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2020

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2020

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2020

Year:

2020

Collaborators (3)

Heather Mayes

Assistant Professor

University of Michigan

UNITED STATES

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Andreas Schöller

Universität Wien

AUSTRIA

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Stefan Boresch

Universität Wien

AUSTRIA

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Henry Woodcock

Research Interests

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Articles (9)

The reaction mechanism of the Ideonella sakaiensis PETase enzyme

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

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

Optimizing the Calculation of Free Energy Differences in Nonequilibrium Work SQM/MM Switching Simulations

CIFDock: A novel CHARMM‐based flexible receptor–flexible ligand docking protocol

Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether

δ-Azaproline and Its Oxidized Variants

Mechanism of proton transfer in class A β-lactamase catalysis and inhibition by avibactam

Hierarchical Markov State Model Building to Describe Molecular Processes

Collaborators (3)

Heather Mayes

Andreas Schöller

Stefan Boresch

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