Preserving the Integrity of Empirical Force Fields-Reference-Cited by-同舟云学术

Preserving the Integrity of Empirical Force Fields

Published:2022-08-02 Issue:16 Volume:62 Page:3825-3831
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Orr Asuka A.¹^ORCID,Sharif Suliman¹,Wang Junmei²^ORCID,MacKerell Alexander D.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201, United States

2. Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States

Funder

National Institute of General Medical Sciences

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.2c00615

Reference55 articles.

1. Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

2. CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

3. Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

4. CHARMM Additive All-Atom Force Field for Glycosidic Linkages in Carbohydrates Involving Furanoses

5. Impact of 2′-hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all-atom additive force field for RNA

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