Biomolecular Dynamics in the 21st Century

Overview

Journal Biochim Biophys Acta Gen Subj

Publisher Elsevier

Specialties Biochemistry
Biophysics

Date 2023 Dec 8

PMID 38065235

Authors

Charles L Brooks 3rd

Alexander D MacKerell Jr

Carol B Post

Lennart Nilsson

Affiliations

Soon will be listed here.

Abstract

The relevance of motions in biological macromolecules has been clear since the early structural analyses of proteins by X-ray crystallography. Computer simulations have been applied to provide a deeper understanding of the dynamics of biological macromolecules since 1976, and are now a standard tool in many labs working on the structure and function of biomolecules. In this mini-review we highlight some areas of current interest and active development for simulations, in particular all-atom molecular dynamics simulations.

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