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(Ala)4‐X‐(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side‐chain dihedral empirical force field parameters |
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| Authors: | Jihyun Shim Xiao Zhu Robert B Best Alexander D MacKerell Jr |
| Institution: | 1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, 20 Penn St., Baltimore, MD 21201;2. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom |
| Abstract: | |
| Keywords: | computational chemistry protein molecular mechanics molecular dynamics CHARMM torsion folding |