H Lee Woodcock

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Venues

Biochemistry

Journal of chemical theory and computation

Communications chemistry

The journal of physical chemistry. B

University of South Florida

University of Georgia (PHD)

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

Affiliation History

University of South Florida Aug 01 2009

United States

Assistant Professor :: Department of Chemistry

National Institutes of Health May 02 2003 - Jul 31 2009

United States

IRTA / Lenfant Fellow :: National Heart, Lung, and Blood Institute

Education History

University of Georgia Aug 01 1999 - May 01 2003

United States

PHD :: Department of Chemistry

Appalachian State University - Jun 01 1999

United States

BSC :: Department of Chemistry

Publications

Eucolona M Toci, Steven L Austin, Ananya Majumdar, H Lee Woodcock, Caren L Freel Meyers
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase. Biochemistry 63 (5) (2024)
Eucolona M Toci, Steven L Austin, Ananya Majumdar, H Lee Woodcock, Caren L Freel Meyers
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase. Biochemistry 63 (5) (2024)
Tucker Burgin, Benjamin C Pollard, Brandon C Knott, Heather B Mayes, Michael F Crowley, John E McGeehan, Gregg T Beckham, H Lee Woodcock
The reaction mechanism of the Ideonella sakaiensis PETase enzyme. Communications chemistry 7 (1) (2024)
Eucolona M Toci, Steven L Austin, Ananya Majumdar, H Lee Woodcock, Caren L Freel Meyers
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase. Biochemistry (2024)
Eucolona M Toci, Steven L Austin, Ananya Majumdar, H Lee Woodcock, Caren L Freel Meyers
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase. Biochemistry 63 (5) (2024)
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Eucolona M Toci, Steven L Austin, Ananya Majumdar, H Lee Woodcock, Caren L Freel Meyers
Disruption of an Active Site Network Leads to Activation of C2α-Lactylthiamin Diphosphate on the Antibacterial Target 1-Deoxy-d-xylulose-5-phosphate Synthase. Biochemistry 63 (5) (2024)
Tucker Burgin, Benjamin C Pollard, Brandon C Knott, Heather B Mayes, Michael F Crowley, John E McGeehan, Gregg T Beckham, H Lee Woodcock
The reaction mechanism of the Ideonella sakaiensis PETase enzyme. Communications chemistry 7 (1) (2024)
Andreas Schöller, H Lee Woodcock, Stefan Boresch
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. Molecules (Basel, Switzerland) 28 (10) (2023)
Andreas Schöller, Fiona L Kearns, H Lee Woodcock, Stefan Boresch
Optimizing the Calculation of Free Energy Differences in Nonequilibrium Work SQM/MM Switching Simulations. The journal of physical chemistry. B 126 (15) (2022)
Nicole E Avalon, Jordan Nafie, Carolina De Marco Verissimo, Luke C Warrensford, Sarah G Dietrick, Amanda R Pittman, Ryan M Young, Fiona L Kearns, Tracess Smalley, Jennifer M Binning, John P Dalton, Mark P Johnson, H Lee Woodcock, A Louise Allcock, Bill J Baker
Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida , Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme. Journal of natural products 85 (5) (2022)
Sai L Vankayala, Luke C Warrensford, Amanda R Pittman, Benjamin C Pollard, Fiona L Kearns, Joseph D Larkin, H Lee Woodcock
CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol. Journal of computational chemistry 43 (2) (2021)
Claire Laguionie-Marchais, A Louise Allcock, Bill J Baker, Ellie-Ann Conneely, Sarah G Dietrick, Fiona Kearns, Kate McKeever, Ryan M Young, Connor A Sierra, Sylvia Soldatou, H Lee Woodcock, Mark P Johnson
Not Drug-like, but Like Drugs: Cnidaria Natural Products. Marine drugs 20 (1) (2021)
Yassin M Elbatrawi, Kyle P Pedretty, Nicole Giddings, H Lee Woodcock, Juan R Del Valle
δ-Azaproline and Its Oxidized Variants. The Journal of organic chemistry 85 (6) (2020)
Veronika Zeindlhofer, Phillip Hudson, Ádám Márk Pálvölgyi, Matthias Welsch, Mazin Almarashi, H Lee Woodcock, Bernard Brooks, Katharina Bica-Schröder, Christian Schröder
Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether. International journal of molecular sciences 21 (17) (2020)
David K Wolfe, Joseph R Persichetti, Ajeet K Sharma, Phillip S Hudson, H Lee Woodcock, Edward P O'Brien
Hierarchical Markov State Model Building to Describe Molecular Processes. Journal of chemical theory and computation 16 (3) (2020)
Fiona L Kearns, Luke C Warrensford, Stefan Boresch, H Lee Woodcock
The Good, the Bad, and the Ugly: "HiPen", a New Dataset for Validating (S)QM/MM Free Energy Simulations. Molecules (Basel, Switzerland) 24 (4) (2019)
Fiona L Kearns, Carrie Robart, M Trent Kemp, Sai Lakshmana Vankayala, Brette M Chapin, Eric V Anslyn, H Lee Woodcock, Joseph D Larkin
Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid. Journal of chemical information and modeling 59 (5) (2019)
Phillip S Hudson, H Lee Woodcock, Stefan Boresch
Use of Interaction Energies in QM/MM Free Energy Simulations. Journal of chemical theory and computation 15 (8) (2019)
Phillip S Hudson, Kyungreem Han, H Lee Woodcock, Bernard R Brooks
Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale. Journal of computer-aided molecular design 32 (10) (2018)
Phillip S Hudson, Stefan Boresch, David M Rogers, H Lee Woodcock
Accelerating QM/MM Free Energy Computations via Intramolecular Force Matching. Journal of chemical theory and computation 14 (12) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

H Lee Woodcock