Literature DB >> 17708535

Quantitative computer simulations of biomolecules: a snapshot.

Wei Yang1, Hugh Nymeyer, Huan-Xiang Zhou, Bernd Berg, Rafael Brüschweiler.   

Abstract

A recent workshop titled "Quantitative Computational Biophysics" at Florida State University provided an overview of the state of the art in quantitative modeling of biomolecular systems. The presentations covered a wide range of interrelated topics, including the development and validation of force fields, the modeling of protein-protein interactions, the sampling of conformational space, and the assessment of equilibration and statistical errors. Substantial progress in all these areas was reported.

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Year:  2008        PMID: 17708535     DOI: 10.1002/jcc.20819

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


  4 in total

1.  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

2.  All-atom contact model for understanding protein dynamics from crystallographic B-factors.

Authors:  Da-Wei Li; Rafael Brüschweiler
Journal:  Biophys J       Date:  2009-04-22       Impact factor: 4.033

3.  Rapid sampling of all-atom peptides using a library-based polymer-growth approach.

Authors:  Artem B Mamonov; Xin Zhang; Daniel M Zuckerman
Journal:  J Comput Chem       Date:  2010-08-23       Impact factor: 3.376

Review 4.  Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways.

Authors:  D Wu; M I Fajer; L Cao; X Cheng; W Yang
Journal:  Methods Enzymol       Date:  2016-06-23       Impact factor: 1.600

  4 in total

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