Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies-Reference-Cited by-同舟云学术

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Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies

Published:2020-11-04 Issue:12 Volume:16 Page:7556-7580
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kashefolgheta Sadra¹,Oliveira Marina P.¹,Rieder Salomé R.¹,Horta Bruno A. C.²^ORCID,Acree William E.³^ORCID,Hünenberger Philippe H.¹^ORCID

Affiliation:

1. Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Hönggerberg, HCI, CH-8093 Zürich, Switzerland

2. Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-909, Brazil

3. Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, Texas 76203, United States

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00688

Reference200 articles.

1. Computer Simulation of Liquids

2. Simulating the Physical World

3. Molecular simulations and visualization: introduction and overview

4. Phase Transition for a Hard Sphere System

5. Studies in Molecular Dynamics. I. General Method

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