A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis-Reference-Cited by-同舟云学术

A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Published:1997-12-01 Issue:25 Volume:40 Page:4089-4102
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Pastor Manuel¹,Cruciani Gabriele¹,Watson Kimberly A.¹

Affiliation:

1. Department of Pharmacology, University of Alcala, 28871 Alcala de Henares, Spain, Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, 06123 Perugia, Italy, Laboratory of Molecular Biophysics, The Rex Richards Building, South Parks Road, Oxford OX 3QU, U.K.

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm970273d

Reference33 articles.

1. Kubinyi, H.QSAR: Hansch Analysis and Related Approaches;Mannhold, R., Krogsgaard-Larsen, P., Timmerman, H., Eds.; VCH: Weinheim, 1993.

2. Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis

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