4.4 Article

A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Assessment of Common Simulation Protocols for Simulations of Nanopores, Membrane Proteins, and Channels

Jirasak Wong-ekkabut et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Multidisciplinary Sciences

Dual functions of the Hsm3 protein in chaperoning and scaffolding regulatory particle subunits during the proteasome assembly

Marie-Benedicte Barrault et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)

Article Chemistry, Physical

Ionic solvation studied by image-charge reaction field method

Yuchun Lin et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Multidisciplinary

Combining a Polarizable Force-Field and a Coarse-Grained Polarizable Solvent Model. II. Accounting for Hydrophobic Effects

Michel Masella et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Chemistry, Physical

Water-Exclusion and Liquid-Structure Forces in Implicit Solvation

Sergio A. Hassan et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Article Chemistry, Physical

Dissociation of NaCl in water from ab initio molecular dynamics simulations

Jeff Timko et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

QM/MM Dynamics of CH3COO--Water Hydrogen Bonds in Aqueous Solution

Apirak Payaka et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

Review Chemistry, Physical

Liquid-structure forces and electrostatic modulation of biomolecular interactions in solution

Sergio A. Hassan

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Computer Science, Interdisciplinary Applications

Long-range interactions and parallel scalability in molecular simulations

Michael Patra et al.

COMPUTER PHYSICS COMMUNICATIONS (2007)

Article Chemistry, Physical

Particle-based implicit solvent model for biosimulations: Application to proteins and nucleic acids hydration

Nathalie Basdevant et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)

Review Multidisciplinary Sciences

Interfaces and the driving force of hydrophobic assembly

D Chandler

NATURE (2005)

Article Chemistry, Physical

Solvation free energies of amino acid side chain analogs for common molecular mechanics water models

MR Shirts et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Intermolecular potentials of mean force of amino acid side chain interactions in aqueous medium

SA Hassan

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

Article Chemistry, Multidisciplinary

A semi-implicit solvent model for the simulation of peptides and proteins

N Basdevant et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Chemistry, Physical

Electrostatics on particles: Phenomenological and orientational density functional theory approach

T HaDuong et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Multidisciplinary

Multiple grid methods for classical molecular dynamics

RD Skeel et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)

Article Multidisciplinary Sciences

Electrostatics of nanosystems: Application to microtubules and the ribosome

NA Baker et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)

Article Chemistry, Physical

Scaling of hydrophobic solvation free energies

DM Huang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (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)

Review Chemistry, Multidisciplinary

Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models

PA Kollman et al.

ACCOUNTS OF CHEMICAL RESEARCH (2000)

Article Chemistry, Physical

A general treatment of solvent effects based on screened Coulomb potentials

SA Hassan et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2000)