Determination of Effective Potentials for the Stretching of Cα···Cα Virtual Bonds in Polypeptide Chains for Coarse-Grained Simulations of Proteins from ab Initio Energy Surfaces of N-Methylacetamide and N-Acetylpyrrolidine

Title
Determination of Effective Potentials for the Stretching of Cα···Cα Virtual Bonds in Polypeptide Chains for Coarse-Grained Simulations of Proteins from ab Initio Energy Surfaces of N-Methylacetamide and N-Acetylpyrrolidine
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 8, Issue 4, Pages 1334-1343
Publisher
American Chemical Society (ACS)
Online
2012-02-25
DOI
10.1021/ct2008439

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