Author

J. A. Henderson

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 5

Signature Assays, Organisms & Methods

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Research Focus:protein folding & dynamics· 4 Approach:statistical model· 4 Approach:deep learning· 3 Assay:protein structure· 3 Research Focus:cell signaling & trafficking· 2 Research Focus:chromatin & epigenetic regulation· 1 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1

Frequent Co-Authors

J. Shen· 4 shared A. A. Alnaas· 1 shared A. Watson-Siriboe· 1 shared C. Michel· 1 shared C. T. Shearn· 1 shared E. Vazquez Montelongo· 1 shared H. Lin· 1 shared J. A. Harris· 1 shared

Activity by Year

2020-2022 · peak 4/yr

Co-Author Collaboration Network

10 top collaborators · 24 mutual co-author links

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4 shared papersBiophysics

J. Shen

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Author profile →

5 papers

Recent·Most cited

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

J. A. Harris, R. Liu, V. Martins de Oliveira, E. Vazquez Montelongo, J. A. Henderson, J. Shen

This paper introduces a GPU-accelerated all-atom continuous constant pH MD method with PME electrostatics in Amber22, validated on six proteins with improved pKa accuracy and biological relevance.

bioRxiv · Jun 4, 2022Biophysics

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

S. Ma, J. A. Henderson, J. Shen

This study uses CpHMD simulations to investigate the pH-dependent structure-dynamics-function relationship of human renin, revealing the roles of the catalytic dyad and flap conformation.

bioRxiv · Oct 15, 2020Biophysics

Continuous Constant pH Molecular Dynamics of Transmembrane Proteins

Y. Huang, J. A. Henderson, J. Shen

This paper introduces a continuous constant pH molecular dynamics method to simulate proton-coupled conformational dynamics of transmembrane proteins.

bioRxiv · Aug 6, 2020 · PreprintBiophysics

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

J. A. Henderson, N. Verma, J. Shen

This study calculates pKa values and assesses proton-coupled conformational dynamics of SARS-CoV-2, SARS-CoV, and MERS-CoV PLpros to inform the design of broad-spectrum antiviral inhibitors.

bioRxiv · Jun 30, 2020Biophysics

Multivalent lipid targeting by the calcium-independent C2A domain of Slp-4/granuphilin

A. A. Alnaas, A. Watson-Siriboe, S. Tran, M. Negussie, J. A. Henderson, J. R. Osterberg, N. Lee Chon, J. Oviedo, T. Lyakhova, C. Michel, N. Reisdorph, R. Reisdorph, C. T. Shearn, H. Lin, J. D. Knight

This study shows that the Slp-4 C2A domain binds PIP2 with high affinity through multivalent interactions involving both specific and nonspecific lipid contacts.

bioRxiv · May 29, 2020 · PreprintBiophysics