HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Polarizable force fields for biomolecular simulations: Recent advances and applications

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.
Document type :
Journal articles
Complete list of metadata

Cited literature [138 references]  Display  Hide  Download

https://hal.archives-ouvertes.fr/hal-01821899
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Saturday, June 23, 2018 - 9:34:47 AM
Last modification on : Thursday, March 31, 2022 - 8:20:02 AM
Long-term archiving on: : Wednesday, September 26, 2018 - 7:12:51 PM

File

MS - Combined.pdf
Files produced by the author(s)

Identifiers

Citation

Zhifeng Jing, Chengwen Liu, Sara Cheng, Rui Qi, Brandon Walker, et al.. Polarizable force fields for biomolecular simulations: Recent advances and applications. Annual Reviews of Biophysics, Annual Reviews, 2019, 48, pp.371-394. ⟨10.1146/annurev-biophys-070317-033349⟩. ⟨hal-01821899⟩

Share

Metrics

Record views

145

Files downloads

2346