Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications.
Annu Rev Biophys
; 48: 371-394, 2019 05 06.
Article
em En
| MEDLINE
| ID: mdl-30916997
ABSTRACT
Realistic modeling of biomolecular systems requires an accurate treatment of electrostatics, including electronic polarization. Due to recent advances in physical models, simulation algorithms, and computing hardware, biomolecular simulations with advanced force fields at biologically relevant timescales are becoming increasingly promising. These advancements have not only led to new biophysical insights but also afforded opportunities to advance our understanding of fundamental intermolecular forces. This article describes the recent advances and applications, as well as future directions, of polarizable force fields in biomolecular simulations.
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Base de dados:
MEDLINE
Assunto principal:
Eletricidade Estática
/
Simulação de Dinâmica Molecular
Idioma:
En
Ano de publicação:
2019
Tipo de documento:
Article