A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons

Matching of Additive and Polarizable Force Fields for Multiscale Condensed Phase Simulations

(2013) Christopher M. Baker et al.   Journal of Chemical Theory and Computation

Folding of a Helix Is Critically Stabilized by Polarization of Backbone Hydrogen Bonds: Study in Explicit Water

(2012) Li L. Duan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thirty-five years of biomolecular simulation: development of methodology, force fields and software

(2012) Wilfred F. van Gunsteren et al.   MOLECULAR SIMULATION

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

(2011) Nathan Schmid et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Protein's electronic polarization contributes significantly to its catalytic function

(2011) Yun Xiang et al.   JOURNAL OF CHEMICAL PHYSICS

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

(2011) Andreas P. Eichenberger et al.   Journal of Chemical Theory and Computation

On the Calculation of the Dielectric Permittivity and Relaxation of Molecular Models in the Liquid Phase

(2011) Sereina Riniker et al.   Journal of Chemical Theory and Computation

New functionalities in the GROMOS biomolecular simulation software

(2011) Anna-Pitschna E. Kunz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software

(2011) Sereina Riniker et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The effect of using a polarizable solvent model upon the folding equilibrium of different β-peptides

(2011) Zhixiong Lin et al.   MOLECULAR PHYSICS

A simple, efficient polarizable molecular model for liquid carbon tetrachloride

(2011) Anna-Pitschna E. Kunz et al.   MOLECULAR PHYSICS

Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

(2010) Christopher M. Baker et al.   Journal of Chemical Theory and Computation

Current Status of the AMOEBA Polarizable Force Field

(2010) Jay W. Ponder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD

(2010) Wei Jiang et al.   Journal of Physical Chemistry Letters

Electrostatic Polarization Makes a Substantial Contribution to the Free Energy of Avidin−Biotin Binding

(2010) Yan Tong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A one-site polarizable model for liquid chloroform: COS/C

(2010) Zhixiong Lin et al.   MOLECULAR PHYSICS

Development of a Nonlinear Classical Polarization Model for Liquid Water and Aqueous Solutions: COS/D†

(2009) Anna-Pitschna E. Kunz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic Polarization Is Important in Stabilizing the Native Structures of Proteins

(2009) Chang G. Ji et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Revised Charge Equilibration Potential for Liquid Alkanes

(2008) Joseph E. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY B