Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field-Reference-Cited by-同舟云学术

Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field

Published:2019-01-18 Issue:3 Volume:15 Page:1806-1826
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gonçalves Yan M. H.¹,Senac Caroline²,Fuchs Patrick F. J.³⁴^ORCID,Hünenberger Philippe H.⁵^ORCID,Horta Bruno A. C.¹^ORCID

Affiliation:

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

2. Sorbonne Université, CNRS, INSERM, Laboratoire d’Imagerie Biomédicale (LIB), F-75006 Paris, France

3. Sorbonne Université, École normale supérieure, PSL University, CNRS, Laboratoire des biomolécules, LBM, 75005 Paris, France

4. Université Paris Diderot, 75013 Paris, France

5. Laboratory of Physical Chemistry, ETH Zürich, CH-8093 Zürich, Switzerland

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00425

Reference163 articles.

1. A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems

2. MOLECULAR DYNAMICS SIMULATIONS OF BIOMOLECULES: Long-Range Electrostatic Effects

3. Ewald summation techniques in perspective: a survey

4. Long-range electrostatic effects in biomolecular simulations

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