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Journal of Chemical Information and Modeling|December 29, 2021
Exploring the pH- and Ligand-Dependent Flap Dynamics of Malarial Plasmepsin IIJack A Henderson, Jana Shen
Journal of Chemical Information and Modeling|December 28, 2020
Exploring the pH-Dependent Structure-Dynamics-Function Relationship of Human ReninShuhua Ma, Jack A Henderson, Jana Shen
Journal of the American Chemical Society|December 15, 2020
Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent InhibitorsNeha Verma, Jack A Henderson, Jana Shen
Methods in Molecular Biology (Clifton, N.J.)|April 20, 2021
Continuous Constant pH Molecular Dynamics Simulations of Transmembrane ProteinsYandong Huang, Jack A Henderson, Jana Shen
Biorxiv : the Preprint Server for Biology|July 9, 2020
Assessment of Proton-Coupled Conformational Dynamics of SARS and MERS Coronavirus Papain-like Proteases: Implication for Designing Broad-Spectrum Antiviral InhibitorsJack A Henderson, Neha Verma, Jana Shen
Proceedings of the National Academy of Sciences of the United States of America|September 25, 2020
Alternative proton-binding site and long-distance coupling in Escherichia coli sodium-proton antiporter NhaAJack A Henderson, Yandong Huang, Oliver Beckstein, et al.
The Journal of Physical Chemistry Letters|September 7, 2018
How Ligand Protonation State Controls Water in Protein-Ligand BindingJack A Henderson, Robert C Harris, Cheng-Chieh Tsai, et al.
RSC Medicinal Chemistry|February 28, 2022
Profiling MAP kinase cysteines for targeted covalent inhibitor designRuibin Liu, Neha Verma, Jack A Henderson, et al.
The Journal of Chemical Physics|September 23, 2020
Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitorsJack A Henderson, Neha Verma, Robert C Harris, et al.
The Journal of Physical Chemistry Letters|February 21, 2018
Predicting Catalytic Proton Donors and Nucleophiles in Enzymes: How Adding Dynamics Helps Elucidate the Structure-Function RelationshipsYandong Huang, Zhi Yue, Cheng-Chieh Tsai, et al.
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