Author

C. L. Simmerling

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· 2

Signature Assays, Organisms & Methods

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Research Focus:protein folding & dynamics· 2 Assay:protein structure· 2 Approach:biophysical modeling· 1 Approach:experimental assay· 1 Organism:human· 1 Approach:mechanistic / dynamical model· 1 Approach:microscopy & imaging analysis· 1 Organism:plant (other)· 1

Frequent Co-Authors

A. A. Gil· 1 shared A. C. Dommer· 1 shared A. Lukacs· 1 shared C. R. Hall· 1 shared E. P. Barros· 1 shared G. M. Greetham· 1 shared H. A. Woroniecka· 1 shared I. P. Clark· 1 shared

Activity by Year

2020-2020 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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1 shared paperBiophysics

A. A. Gil

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2 papers

Recent·Most cited

The flexibility of ACE2 in the context of SARS-CoV-2 infection

E. P. Barros, L. Casalino, Z. Gaieb, A. C. Dommer, Y. Wang, L. Fallon, L. Raguette, K. Belfon, C. L. Simmerling, R. E. Amaro

This paper uses molecular dynamics simulations to study ACE2 flexibility in SARS-CoV-2 infection, finding structural dynamics that may aid viral entry and therapeutic design.

bioRxiv · Sep 16, 2020Biophysics

Unraveling the Mechanism of a LOV Domain Optogenetic Sensor: A Glutamine Lever Induces Unfolding of the Jα Helix

J. N. Iuliano, J. Tolentino Collado, A. A. Gil, P. V. Ravindran, A. Lukacs, S. Shin, H. A. Woroniecka, K. Adamczyk, J. M. Aramini, U. R. Edupuganti, C. R. Hall, G. M. Greetham, I. V. Sazanovich, I. P. Clark, T. Daryaee, , P. J. Tonge

This study investigates the structural dynamics of the LOV2 domain in AsLOV2, showing that Q513 and N414 mediate J-helix unfolding linked to optogenetic function.

bioRxiv · Jan 29, 2020Biophysics