The reaction field method in molecular dynamics simulations of point-polarizable water models

Field Method ◽

Reaction Field ◽

Water Models ◽

An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions

10.1063/1.3245232 ◽

2009 ◽

Vol 131 (15) ◽

pp. 154103 ◽

Cited By ~ 29

Author(s):

Yuchun Lin ◽

Andrij Baumketner ◽

Shaozhong Deng ◽

Zhenli Xu ◽

Donald Jacobs ◽

...

Keyword(s):

Molecular Dynamics ◽

Aqueous Solutions ◽

Electrostatic Interactions ◽

Field Method ◽

Reaction Field ◽

A generalized reaction field method for molecular dynamics simulations

10.1063/1.469273 ◽

1995 ◽

Vol 102 (13) ◽

pp. 5451-5459 ◽

Cited By ~ 987

Author(s):

Ilario G. Tironi ◽

René Sperb ◽

Paul E. Smith ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Field Method ◽

Reaction Field ◽

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.1c00794 ◽

2021 ◽

Author(s):

Sachini P. Kadaoluwa Pathirannahalage ◽

Nastaran Meftahi ◽

Aaron Elbourne ◽

Alessia C. G. Weiss ◽

Chris F. McConville ◽

...

Keyword(s):

Molecular Dynamics ◽

Dynamic Properties ◽

Systematic Comparison ◽

Water Models ◽

The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations

10.1063/1.459714 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7528-7529 ◽

Cited By ~ 54

Author(s):

Liem X. Dang ◽

Julia E. Rice ◽

Peter A. Kollman

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Chloride Ion ◽

Ion Pair ◽

Effect Of Water ◽

Water Models ◽

Excess free energy of liquids from molecular dynamics simulations. Application to water models

Journal of the American Chemical Society ◽

10.1021/ja00226a009 ◽

1988 ◽

Vol 110 (18) ◽

pp. 5982-5986 ◽

Cited By ~ 107

Author(s):

Jan. Hermans ◽

Ahammadunny. Pathiaseril ◽

Amil. Anderson

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Excess Free Energy ◽

Water Models ◽

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

10.1063/1.1574774 ◽

2003 ◽

Vol 118 (24) ◽

pp. 10847-10860 ◽

Cited By ~ 64

Author(s):

Gerald Mathias ◽

Bernhard Egwolf ◽

Marco Nonella ◽

Paul Tavan

Keyword(s):

Molecular Dynamics ◽

Long Range ◽

Fast Multipole Method ◽

Fast Multipole ◽

Reaction Field ◽

Multipole Method ◽

Explicit-solvent molecular dynamics simulations of a DNA tetradecanucleotide duplex: lattice-sum versus reaction-field electrostatics

Molecular Simulation ◽

10.1080/08927020701783566 ◽

2008 ◽

Vol 34 (5) ◽

pp. 491-499 ◽

Cited By ~ 11

Author(s):

Vincent Kräutler ◽

Philippe H. Hünenberger

Keyword(s):

Molecular Dynamics ◽

Reaction Field ◽

Explicit Solvent ◽

Lattice Sum ◽

A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations

Chemical Physics ◽

10.1016/j.chemphys.2018.08.036 ◽

2019 ◽

Vol 516 ◽

pp. 6-14 ◽

Cited By ~ 8

Author(s):

Nilesh Choudhary ◽

Suman Chakrabarty ◽

Sudip Roy ◽

Rajnish Kumar

Keyword(s):

Molecular Dynamics ◽

Melting Point ◽

Methane Hydrate ◽

Point Calculation ◽

Water Models ◽

Combined use of periodic reaction field and coarse-grained molecular dynamics simulations. I. phospholipid monolayer systems

Molecular Simulation ◽

10.1080/08927022.2016.1271948 ◽

2017 ◽

Vol 43 (13-16) ◽

pp. 971-976 ◽

Cited By ~ 1

Author(s):

Kazuaki Z. Takahashi

Keyword(s):

Molecular Dynamics ◽

Coarse Grained ◽

Reaction Field ◽

Phospholipid Monolayer ◽

Periodic Reaction ◽

Combined Use ◽

Dynamics Simulations ◽

Coarse Grained Molecular Dynamics

Molecular dynamics simulations of vapor/liquid coexistence using the nonpolarizable water models

10.1063/1.3574038 ◽

2011 ◽

Vol 134 (12) ◽

pp. 124708 ◽

Cited By ~ 46

Author(s):

Ryuji Sakamaki ◽

Amadeu K. Sum ◽

Tetsu Narumi ◽

Kenji Yasuoka

Keyword(s):

Molecular Dynamics ◽

Water Models ◽

Dynamics Simulations ◽

Vapor Liquid