Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations
Author:
Affiliation:
1. Department of Pharmaceutical Sciences, University of California Irvine, Irvine, California 92697, United States
2. Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, United States
Funder
Office of Science
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00905
Reference66 articles.
1. Lamm, G.Rev. Comput. Chem.;John Wiley & Sons, Inc.: 2003; pp147–365.
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4. Force Fields for Protein Simulations
5. Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies
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