Literature DB >> 24826083

Integrated Continuum Dielectric Approaches to treat Molecular Polarizability and the Condensed Phase: Refractive Index and Implicit Solvation.

Jean-François Truchon1, Anthony Nicholls2, Benoît Roux3, Radu I Iftimie4, Christopher I Bayly5.   

Abstract

Entities:  

Year:  2009        PMID： 24826083      PMCID： PMC4016958          DOI： 10.1021/ct900029d

Source DB:  PubMed          Journal:  J Chem Theory Comput        ISSN： 1549-9618            Impact factor:   6.006


× No keyword cloud information.
  6 in total

1.  Predictions of hydration free energies from continuum solvent with solute polarizable models: the SAMPL2 blind challenge.

Authors:  Alexandre Meunier; Jean-François Truchon
Journal:  J Comput Aided Mol Des       Date:  2010-03-31       Impact factor: 3.686

Review 2.  Classical electrostatics for biomolecular simulations.

Authors:  G Andrés Cisneros; Mikko Karttunen; Pengyu Ren; Celeste Sagui
Journal:  Chem Rev       Date:  2013-08-27       Impact factor: 60.622

3.  A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.

Authors:  Dennis M Elking; Lalith Perera; Robert Duke; Thomas Darden; Lee G Pedersen
Journal:  J Comput Chem       Date:  2011-08-31       Impact factor: 3.376

4.  Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive.

Authors:  Kyle A Beauchamp; Julie M Behr; Ariën S Rustenburg; Christopher I Bayly; Kenneth Kroenlein; John D Chodera
Journal:  J Phys Chem B       Date:  2015-09-29       Impact factor: 2.991

5.  A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies.

Authors:  Jean-François Truchon; B Montgomery Pettitt; Paul Labute
Journal:  J Chem Theory Comput       Date:  2014-01-14       Impact factor: 6.006

6.  Evaluation of Representations and Response Models for Polarizable Force Fields.

Authors:  Amanda Li; Alexey Voronin; Andrew T Fenley; Michael K Gilson
Journal:  J Phys Chem B       Date:  2016-06-16       Impact factor: 2.991
  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.