Accounting for electronic polarization in non-polarizable force fields

Spotlight on ionic liquids

(2010) Edward W. Castner et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Continuum Model for Molecular Dynamics Simulations of Biological Molecules

(2010) I. V. Leontyev et al.   Journal of Chemical Theory and Computation

Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations

(2010) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models

(2009) I. V. Leontyev et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic continuum model for molecular dynamics simulations

(2009) I. V. Leontyev et al.   JOURNAL OF CHEMICAL PHYSICS

Electrostatic potential of point charges inside dielectric prolate spheroids

(2008) Shaozhong Deng   JOURNAL OF ELECTROSTATICS

Assessing Atomistic and Coarse-Grained Force Fields for Protein−Lipid Interactions: the Formidable Challenge of an Ionizable Side Chain in a Membrane

(2008) Igor Vorobyov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Method to Determine Dielectric Constants in Nonhomogeneous Systems: Application to Biological Membranes

(2007) Hugh Nymeyer et al.   BIOPHYSICAL JOURNAL