Q-Force: Quantum Mechanically Augmented Molecular Force Fields-Reference-Cited by-同舟云学术

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Q-Force: Quantum Mechanically Augmented Molecular Force Fields

Published:2021-07-12 Issue:8 Volume:17 Page:4946-4960
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sami Selim¹²^ORCID,Menger Maximilian F.S.J²^ORCID,Faraji Shirin²,Broer Ria²^ORCID,Havenith Remco W. A.¹²³^ORCID

Affiliation:

1. Stratingh Institute for Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

2. Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

3. Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281-(S3), B-9000 Ghent, Belgium

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00195

Reference88 articles.

1. Empirical force fields for biological macromolecules: Overview and issues

2. The GROMOS Biomolecular Simulation Program Package

3. An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

4. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6

5. Definition and testing of the GROMOS force-field versions 54A7 and 54B7

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