Ligand Entropy in Gas-Phase, Upon Solvation and Protein Complexation. Fast Estimation with Quasi-Newton Hessian
Author:
Affiliation:
1. OpenEye Scientific Software Incorporated, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100095p
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