Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies
Author:
Affiliation:
1. Departments of Pharmaceutical Sciences and Chemistry, University of California, Irvine, Irvine, California 92697, United States
2. Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, United States
Funder
National Institute of General Medical Sciences
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/acs.jpcb.6b09198
Reference95 articles.
1. On the Nonpolar Hydration Free Energy of Proteins: Surface Area and Continuum Solvent Models for the Solute−Solvent Interaction Energy
2. Role of Hydration Water in Protein Unfolding
3. Atomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling
4. Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field
5. Solvation Structure, Thermodynamics, and Molecular Conformational Equilibria for n-Butane in Water Analyzed by Reference Interaction Site Model Theory Using an All-Atom Solute Model
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