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arXiv · physics/9810029

Efficient Monte Carlo Methods for Cyclic Peptides

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.

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BibTeXRIS

Minghong G. Wu, Michael W. Deem. 1999-04-09. Efficient Monte Carlo Methods for Cyclic Peptides. https://doi.org/10.1080/002689799163659

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