Monte Carlo vs Molecular Dynamics for All-Atom Polypeptide Folding Simulations
Author:
Affiliation:
1. Department of Chemistry, University of Rome “La Sapienza”, Rome, Italy, and Department of Biochemistry, University of Oxford, Oxford, U.K.
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp061619b
Reference43 articles.
1. Generalized Born Models of Macromolecular Solvation Effects
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3. Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the surface generalized born solvent model
4. Molecular Dynamics Study of Peptides in Implicit Water: Ab Initio Folding of β-Hairpin, β-Sheet, and ββα-motif
5. All-Atom Structure Prediction and Folding Simulations of a Stable Protein
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