Literature DB >> 26860346

Advanced Sampling for Molecular Simulation is Coming of Age.

Wei Yang1,2.   

Abstract

Year:  2016        PMID: 26860346      PMCID: PMC7737666          DOI: 10.1002/jcc.24299

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


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  6 in total

1.  Escaping free-energy minima.

Authors:  Alessandro Laio; Michele Parrinello
Journal:  Proc Natl Acad Sci U S A       Date:  2002-09-23       Impact factor: 11.205

2.  Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules.

Authors:  Donald Hamelberg; John Mongan; J Andrew McCammon
Journal:  J Chem Phys       Date:  2004-06-22       Impact factor: 3.488

3.  Replica Monte Carlo simulation of spin glasses.

Authors: 
Journal:  Phys Rev Lett       Date:  1986-11-24       Impact factor: 9.161

4.  Extending molecular dynamics time scales with milestoning: example of complex kinetics in a solvated peptide.

Authors:  Anthony M A West; Ron Elber; David Shalloway
Journal:  J Chem Phys       Date:  2007-04-14       Impact factor: 3.488

5.  Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems.

Authors:  Lianqing Zheng; Mengen Chen; Wei Yang
Journal:  Proc Natl Acad Sci U S A       Date:  2008-12-15       Impact factor: 11.205

6.  Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

Authors:  Lianqing Zheng; Mengen Chen; Wei Yang
Journal:  J Chem Phys       Date:  2009-06-21       Impact factor: 3.488

  6 in total
  1 in total

1.  A fast and high-quality charge model for the next generation general AMBER force field.

Authors:  Xibing He; Viet H Man; Wei Yang; Tai-Sung Lee; Junmei Wang
Journal:  J Chem Phys       Date:  2020-09-21       Impact factor: 3.488

  1 in total

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