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Education and qualifications (1)

University of Maryland School of Pharmacy: Baltimore, MD, US

2017-08-01 to present (Pharmaceutical Sciences )
Education
Source: Self-asserted source
Jack Henderson

Works (9)

A Guide to the Continuous Constant pH Molecular Dynamics Methods in Amber and CHARMM [Article v1.0]

Living Journal of Computational Molecular Science
2022 | Journal article
DOI: 10.33011/livecoms.4.1.1563
Contributors: Jack A. Henderson; Ruibin Lui; Julie A. Harris; Yandong Huang; Vinicius M. de Oliviera; Jana Shen
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Crossref

GPU-Accelerated All-atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

2022-06-05 | Preprint
DOI: 10.1101/2022.06.04.494833
Contributors: Julie A. Harris; Ruibin Liu; Vinicius Martins de Oliveira; Erik Vaquez Montelongo; Jack A. Henderson; Jana Shen
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Crossref

Exploring the pH- and Ligand-Dependent Flap Dynamics of Malarial Plasmepsin II

Journal of Chemical Information and Modeling
2022-01-10 | Journal article
DOI: 10.1021/acs.jcim.1c01180
Contributors: Jack A. Henderson; Jana Shen
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Crossref

Exploring the pH-Dependent Structure–Dynamics–Function Relationship of Human Renin

Journal of Chemical Information and Modeling
2021-01-25 | Journal article
DOI: 10.1021/acs.jcim.0c01201
Contributors: Shuhua Ma; Jack A. Henderson; Jana Shen
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Crossref

Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent Inhibitors

Journal of the American Chemical Society
2020-12-30 | Journal article
DOI: 10.1021/jacs.0c10770
Contributors: Neha Verma; Jack A. Henderson; Jana Shen
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Crossref

Exploring the pH-dependent structure-dynamics-function relationship of human renin

2020-10-15 | Preprint
DOI: 10.1101/2020.10.15.340935
Contributors: Shuhua Ma; Jack A. Henderson; Jana Shen
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Crossref

Alternative proton-binding site and long-distance coupling in Escherichia coli sodium–proton antiporter NhaA

Proceedings of the National Academy of Sciences
2020-10-13 | Journal article
DOI: 10.1073/pnas.2005467117
Contributors: Jack A. Henderson; Yandong Huang; Oliver Beckstein; Jana Shen
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Crossref

Assessment of Proton-Coupled Conformational Dynamics of SARS and MERS Coronavirus Papain-like Proteases: Implication for Designing Broad-Spectrum Antiviral Inhibitors

2020-07-01 | Other
DOI: 10.1101/2020.06.30.181305
Contributors: Jack A. Henderson; Neha Verma; Jana Shen
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Crossref

How Ligand Protonation State Controls Water in Protein–Ligand Binding

The Journal of Physical Chemistry Letters
2018-09-20 | Journal article
DOI: 10.1021/acs.jpclett.8b02440
Contributors: Jack A. Henderson; Robert C. Harris; Cheng-Chieh Tsai; Jana Shen
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