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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.
Cited literature [138 references]
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
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
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