Efficient Monte Carlo Methods for Cyclic Peptides
Biological Physics
2009-10-31 v3 Statistical Mechanics
Computational Physics
Abstract
We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo. Parallel tempering is shown to be an important ingredient in the construction of an efficient approach.
Cite
@article{arxiv.physics/9810029,
title = {Efficient Monte Carlo Methods for Cyclic Peptides},
author = {Minghong G. Wu and Michael W. Deem},
journal= {arXiv preprint arXiv:physics/9810029},
year = {2009}
}
Comments
LaTeX source, 10 EPS figures, to appear in Molecular Physics