Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions-Reference-Cited by-同舟云学术

Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions

Published:2005-11-15 Issue:1 Volume:2 Page:128-139
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rizzo Robert C.¹,Aynechi Tiba¹,Case David A.¹,Kuntz Irwin D.¹

Affiliation:

1. Department of Pharmaceutical Chemistry, University of California at San Francisco, San Francisco, California 94143-2240, and the Department of Molecular Biology TPC-15, The Scripps Research Institute, La Jolla, California 92037

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct050097l

Reference60 articles.

1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

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