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arXiv · cond-mat/9709330

A Configurational Bias Monte Carlo Method for Linear and Cyclic Peptides

Michael W. Deem·Joel Bader
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Abstract

In this manuscript, we describe a new configurational bias Monte Carlo technique for the simulation of peptides. We focus on the biologically relevant cases of linear and cyclic peptides. Our approach leads to an 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.

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Michael W. Deem, Joel Bader. 1997-09-30. A Configurational Bias Monte Carlo Method for Linear and Cyclic Peptides. https://doi.org/10.1080/00268979600100841

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