Literature DB >> 17501016

Supersymmetric Langevin equation to explore free-energy landscapes.

Alessandro Mossa1, Cecilia Clementi.   

Abstract

The recently discovered supersymmetric generalizations of the Langevin dynamics and Kramers equation can be utilized for the exploration of free-energy landscapes of systems whose large time-scale separation hampers the usefulness of standard molecular dynamics techniques. The first realistic application is here presented. The system chosen is a minimalist model for a short alanine peptide exhibiting a helix-coil transition.

Entities:  

Year:  2007        PMID: 17501016     DOI: 10.1103/PhysRevE.75.046707

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  3 in total

1.  Efficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin.

Authors:  Bin W Zhang; David Jasnow; Daniel M Zuckerman
Journal:  Proc Natl Acad Sci U S A       Date:  2007-11-01       Impact factor: 11.205

2.  A new perspective on transition states: χ1 separatrix.

Authors:  Paul J Ledbetter; Cecilia Clementi
Journal:  J Chem Phys       Date:  2011-07-28       Impact factor: 3.488

3.  Paxillin facilitates timely neurite initiation on soft-substrate environments by interacting with the endocytic machinery.

Authors:  Ting-Ya Chang; Chen Chen; Min Lee; Ya-Chu Chang; Chi-Huan Lu; Shao-Tzu Lu; De-Yao Wang; Aijun Wang; Chin-Lin Guo; Pei-Lin Cheng
Journal:  Elife       Date:  2017-12-22       Impact factor: 8.140

  3 in total

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