Protein storytelling through physics

Author:

Brini Emiliano1ORCID,Simmerling Carlos12ORCID,Dill Ken123ORCID

Affiliation:

1. Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, NY 11794, USA.

2. Department of Chemistry, Stony Brook University, Stony Brook, NY 11794, USA.

3. Department of Physics and Astronomy, Stony Brook University, Stony Brook, New NY 11794, USA.

Abstract

Understanding what drives proteins Computational molecular physics (CMP) aims to leverage the laws of physics to understand not just static structures but also the motions and actions of biomolecules. Applying CMP to proteins has required either simplifying the physical models or running simulations that are shorter than the time scale of the biological activity. Brini et al. reviewed advances that are moving CMP to time scales that match biological events such as protein folding, ligand unbinding, and some conformational changes. They also highlight the role of blind competitions in driving the field forward. New methods such as deep learning approaches are likely to make CMP an increasingly powerful tool in describing proteins in action. Science , this issue p. eaaz3041

Funder

National Institute of General Medical Sciences

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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