QM/MM−PBSA Method To Estimate Free Energies for Reactions in Proteins
Author:
Affiliation:
1. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden
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/jp802648k
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4. Theory of hydrophobic bonding. II. Correlation of hydrocarbon solubility in water with solvent cavity surface area
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