Transition Path Sampling Simulations of Biological Systems

Autor(en)

Christoph Dellago, Peter G Bolhuis

Abstrakt

Transition path sampling is a computational method for the simulation of rare but important events occurring in complex systems. Based on a statistical mechanics in trajectory space, transition path sampling can be applied to identify mechanisms and determine rate constants. Here we review the basic ideas and algorithms of transition path sampling and discuss some recent applications of this methodology to problems in molecular biology including protein folding, enzyme catalysis, and processes occurring in lipid bilayers.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

University of Amsterdam (UvA)

Seiten

291-317

Anzahl der Seiten

27

DOI

https://doi.org/10.1007/128_085

Publikationsdatum

2007

ÖFOS 2012

104022 Theoretische Chemie, 103029 Statistische Physik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/63883910-8152-4bbe-ad4b-758410fc54c2