Literature DB >> 21057598

A comparable study of image approximations to the reaction field.

Shaozhong Deng1, Wei Cai, Donald Jacobs.   

Abstract

The recently developed high-order accurate multiple image approximation to the reaction field for a charge inside a dielectric sphere [J. Comput. Phys., 223 (2007) 846-864] is compared favorably to other commonly employed reaction field schemes. These methods are of particular interest because they are useful in the study of biological macromolecules by the Monte Carlo and Molecular Dynamics methods.

Year:  2007        PMID: 21057598      PMCID: PMC2972553          DOI: 10.1016/j.cpc.2007.06.004

Source DB:  PubMed          Journal:  Comput Phys Commun        ISSN: 0010-4655            Impact factor:   4.390


  10 in total

Review 1.  Molecular dynamics simulations of biomolecules: long-range electrostatic effects.

Authors:  C Sagui; T A Darden
Journal:  Annu Rev Biophys Biomol Struct       Date:  1999

2.  Tanford-Kirkwood electrostatics for protein modeling.

Authors:  J J Havranek; P B Harbury
Journal:  Proc Natl Acad Sci U S A       Date:  1999-09-28       Impact factor: 11.205

Review 3.  Recent advances in the development and application of implicit solvent models in biomolecule simulations.

Authors:  Michael Feig; Charles L Brooks
Journal:  Curr Opin Struct Biol       Date:  2004-04       Impact factor: 6.809

4.  An efficient hybrid explicit/implicit solvent method for biomolecular simulations.

Authors:  Michael S Lee; Freddie R Salsbury; Mark A Olson
Journal:  J Comput Chem       Date:  2004-12       Impact factor: 3.376

Review 5.  Improving implicit solvent simulations: a Poisson-centric view.

Authors:  Nathan A Baker
Journal:  Curr Opin Struct Biol       Date:  2005-04       Impact factor: 6.809

6.  Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method.

Authors:  Michael S Lee; Mark A Olson
Journal:  J Phys Chem B       Date:  2005-03-24       Impact factor: 2.991

Review 7.  Electrostatics calculations: latest methodological advances.

Authors:  Patrice Koehl
Journal:  Curr Opin Struct Biol       Date:  2006-03-15       Impact factor: 6.809

Review 8.  Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.

Authors:  R M Levy; E Gallicchio
Journal:  Annu Rev Phys Chem       Date:  1998       Impact factor: 12.703

9.  Nonperiodic boundary conditions for solvated systems.

Authors:  Gabriele Petraglio; Matteo Ceccarelli; Michele Parrinello
Journal:  J Chem Phys       Date:  2005-07-22       Impact factor: 3.488

10.  Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins.

Authors:  R Abagyan; M Totrov
Journal:  J Mol Biol       Date:  1994-01-21       Impact factor: 5.469

  10 in total
  3 in total

1.  Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.

Authors:  Wei Song; Yuchun Lin; Andrij Baumketner; Shaozhong Deng; Wei Cai; Donald J Jacobs
Journal:  Commun Comput Phys       Date:  2013       Impact factor: 3.246

2.  Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.

Authors:  Zhenli Xu; Wei Cai
Journal:  SIAM Rev Soc Ind Appl Math       Date:  2011-11-07       Impact factor: 10.780

3.  Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions.

Authors:  Shaozhong Deng; Changfeng Xue; Andriy Baumketner; Donald Jacobs; Wei Cai
Journal:  J Comput Phys       Date:  2013-07-01       Impact factor: 3.553

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.