Author

J. S. Duca

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· 1

Signature Assays, Organisms & Methods

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Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Assay:structural biology· 1 Organism:virus· 1

Frequent Co-Authors

A. A. Golosov· 1 shared A. Acharya· 1 shared A. Kovalevsky· 1 shared A. Pavlova· 1 shared C. Chipot· 1 shared C. J. Dickson· 1 shared C. Velez-Vega· 1 shared D. L. Lynch· 1 shared

Activity by Year

2020-2020 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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1 shared paperBiophysics

A. A. Golosov

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1 paper

Recent·Most cited

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

A. Pavlova, D. L. Lynch, I. Daidone, L. Zanetti-Polzi, M. D. Smith, C. Chipot, D. W. Kneller, A. Kovalevsky, L. Coates, A. A. Golosov, C. J. Dickson, C. Velez-Vega, J. S. Duca, J. V. Vermaas, Y. T. Pang, , J. C. Gumbart

This study uses molecular dynamics simulations to investigate how inhibitor binding affects the protonation states of histidines in SARS-CoV-2 main protease, showing their impact on structural stability and inhibitor binding.

bioRxiv · Sep 7, 2020Biophysics