Importance of Dispersion and Electron Correlation in ab Initio Protein Folding
Author:
Affiliation:
1. Department of Chemistry and the Quantum Theory Project, 2328 New Physics Building, P.O. Box 118435, University of Florida, Gainesville, Florida 32611-8435
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/jp8106952
Reference77 articles.
1. Energy Functions that Discriminate X-ray and Near-native Folds from Well-constructed Decoys
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5. 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
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