Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

Published:2021-08-18 Issue:9 Volume:61 Page:4521-4536
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kadaoluwa Pathirannahalage Sachini P.¹²,Meftahi Nastaran³^ORCID,Elbourne Aaron¹^ORCID,Weiss Alessia C. G.⁴^ORCID,McConville Chris F.¹⁵^ORCID,Padua Agilio²^ORCID,Winkler David A.⁶⁷⁸^ORCID,Costa Gomes Margarida²^ORCID,Greaves Tamar L.¹^ORCID,Le Tu C.⁹^ORCID,Besford Quinn A.⁴^ORCID,Christofferson Andrew J.¹³^ORCID

Affiliation:

1. School of Science, RMIT University, Melbourne, Victoria 3000, Australia

2. Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, CNRS, Lyon 69342, France

3. ARC Centre of Excellence in Exciton Science, School of Science, RMIT University, Melbourne, Victoria 3000, Australia

4. Leibniz-Institut für Polymerforschung e.V., Hohe Straße 6, 01069 Dresden, Germany

5. Institute for Frontier Materials, Deakin University, Geelong, Victoria 3220, Australia

6. School of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Bundoora, Victoria 3086, Australia

7. Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia

8. School of Pharmacy, University of Nottingham, Nottingham NG7 2QL, U.K.

9. School of Engineering, RMIT University, Melbourne, Victoria 3001, Australia

Funder

Alexander von Humboldt-Stiftung

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.1c00794

Reference172 articles.

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5. Systematic Validation of Protein Force Fields against Experimental Data

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