Computational Studies on HIV-1 Protease Inhibitors: Influence of Calculated Inhibitor−Enzyme Binding Affinities on the Statistical Quality of 3D-QSAR CoMFA Models-Reference-Cited by-同舟云学术

Computational Studies on HIV-1 Protease Inhibitors: Influence of Calculated Inhibitor−Enzyme Binding Affinities on the Statistical Quality of 3D-QSAR CoMFA Models

Published:2000-10-13 Issue:23 Volume:43 Page:4446-4451
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Jayatilleke Philippa R. N.¹,Nair Anil C.¹,Zauhar Randy¹,Welsh William J.¹

Affiliation:

1. Department of Chemistry and Center for Molecular Electronics, University of Missouri−St. Louis, St. Louis, Missouri 63121, and Department of Chemistry and Biochemistry, University of the Sciences in Philadelphia, Philadelphia, Pennsylvania 19104

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm9905357

Reference12 articles.

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2. Molecular Recognition of Protein−Ligand Complexes: Applications to Drug Design

3. STRUCTURE-BASED INHIBITORS OF HIV-1 PROTEASE

4. An Approach to Rapid Estimation of Relative Binding Affinities of Enzyme Inhibitors: Application to Peptidomimetic Inhibitors of the Human Immunodeficiency Virus Type 1 Protease

5. A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site

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