Article open access publication

Biophysical experiments and biomolecular simulations: A perfect match?

Science, American Association for the Advancement of Science (AAAS), ISSN 0036-8075

Volume 361, 6400, 2018

DOI:10.1126/science.aat4010, Dimensions: pub.1105862488, PMID: 30049874,

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  1. (1) University of Copenhagen, grid.5254.6, KU

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Denmark

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Europe

Description

A fundamental challenge in biological research is achieving an atomic-level description and mechanistic understanding of the function of biomolecules. Techniques for biomolecular simulations have undergone substantial developments, and their accuracy and scope have expanded considerably. Progress has been made through an increasingly tight integration of experiments and simulations, with experiments being used to refine simulations and simulations used to interpret experiments. Here we review the underpinnings of this progress, including methods for more efficient conformational sampling, accuracy of the physical models used, and theoretical approaches to integrate experiments and simulations. These developments are enabling detailed studies of complex biomolecular assemblies.

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University of Copenhagen

Dimensions Citation Indicators

Times Cited: 53

Field Citation Ratio (FCR): 45.77

Relative Citation ratio (RCR): 5.76

Open Access Info

Bronze