An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation
Author:
Affiliation:
1. Department of Cell and Molecular Biology, Uppsala University, Box 596, SE-75124Uppsala, Sweden
2. Faculty of Biosciences, University of Heidelberg, Heidelberg69117, Germany
Funder
Vetenskapsr?det
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01127
Reference316 articles.
1. Refinement of protein conformations using a macromolecular energy minimization procedure
2. Bayesian calibration of force fields for molecular simulations
3. Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?
4. Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics
5. On the determination of molecular fields.—I. From the variation of the viscosity of a gas with temperature
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