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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Recent Open Issues in Coarse Grained Force Fields

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Souza, Felipe Rodrigues [1] ; Pereira Souza, Lucas Miguel [1] ; Pimentel, Andre Silva [1]
Total Authors: 3
[1] Pontificia Univ Catolica Rio de Janeiro, Dept Quim, BR-22453900 Rio De Janeiro, RJ - Brazil
Total Affiliations: 1
Document type: Journal article
Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING; v. 60, n. 12, p. 5881-5884, DEC 28 2020.
Web of Science Citations: 0

This viewpoint intends to show recent open issues of using coarse grained models in molecular dynamics simulation. It reviews the current knowledge of the comparison between experimental and simulation data of structural and physical chemical properties that depend on the hydrophilic and hydrophobic behavior of the molecule. (AU)

FAPESP's process: 14/50983-3 - INCT 2014: complex fluids
Grantee:Antonio Martins Figueiredo Neto
Support type: Research Projects - Thematic Grants
FAPESP's process: 18/16092-5 - Investigating colloidal systems by scattering methods
Grantee:Cristiano Luis Pinto de Oliveira
Support type: Regular Research Grants
FAPESP's process: 17/27078-0 - Development of acoustic levitation systems
Grantee:Marco Aurélio Brizzotti Andrade
Support type: Regular Research Grants