A configurational bias Monte Carlo method for linear and cyclic peptides
- 1 April 1996
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 87 (6) , 1245-1260
- https://doi.org/10.1080/00268979650026785
Abstract
A new configurational bias Monte Carlo technique is described for the simulation of peptides, focusing on the biologically relevant cases of linear and cyclic peptides. The approach leads to efficient, Boltzmann-weighted sampling of the torsional degrees of freedom in these biological molecules, a feat not possible with previous Monte Carlo and molecular dynamics methods.Keywords
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