4.7 Article

Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Chemistry, Multidisciplinary

Explicit Polarization: A Quantum Mechanical Framework for Developing Next Generation Force Fields

Jiali Gao et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Article Chemistry, Physical

GEM*: A Molecular Electronic Density-Based Force Field for Molecular Dynamics Simulations

Robert E. Duke et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Physical

Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

Yue Shi et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization

Junmei Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Physical

Current Status of the AMOEBA Polarizable Force Field

Jay W. Ponder et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Chemistry, Multidisciplinary

Gaussian induced dipole polarization model

Dennis Elking et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Review Chemistry, Physical

Polarizable empirical force field for aromatic compounds based on the classical drude oscillator

Pedro E. M. Lopes et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Towards a force field based on density fitting

JP Piquemal et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A polarizable model of water for molecular dynamics simulations of biomolecules

G Lamoureux et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

A simple polarizable model of water based on classical Drude oscillators

G Lamoureux et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Review Chemistry, Physical

Polarizable atomic multipole water model for molecular mechanics simulation

PY Ren et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

Article Chemistry, Physical

Development of a simple, self-consistent polarizable model for liquid water

HB Yu et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Review Chemistry, Physical

How to build a better pair potential for water

B Guillot et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Review Biochemistry & Molecular Biology

Polarizable force fields

TA Halgren et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2001)

Article Chemistry, Physical

Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions

A Toukmaji et al.

JOURNAL OF CHEMICAL PHYSICS (2000)