Author

J. McCalpain

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:deep learning· 1 Research Focus:protein folding & dynamics· 1 Approach:simulation· 1 Assay:structural biology· 1 Organism:virus· 1

Frequent Co-Authors

A. Bogetti· 1 shared A. Brace· 1 shared A. C. Dommer· 1 shared A. Ramanathan· 1 shared A. Stern· 1 shared A. Trifan· 1 shared C. Simmerling· 1 shared D. Hardy· 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. Bogetti

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1 paper

Recent·Most cited

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

L. Casalino, A. C. Dommer, Z. Gaieb, E. P. Barros, T. Sztain, S.-H. Ahn, A. Trifan, A. Brace, H. Ma, H. Lee, M. Turilli, A. Bogetti, S. Khalid, L. Chong, C. Simmerling, , R. E. Amaro

This paper develops an AI-driven workflow to simulate SARS-CoV-2 spike protein dynamics, revealing glycan shield structure, spike glycans' role in infectivity, and spike-ACE2 interactions.

bioRxiv · Nov 19, 2020Biophysics