Comparative Binding Energy Analysis of HIV-1 Protease Inhibitors: Incorporation of Solvent Effects and Validation as a Powerful Tool in Receptor-Based Drug Design-Reference-Cited by-同舟云学术

Comparative Binding Energy Analysis of HIV-1 Protease Inhibitors: Incorporation of Solvent Effects and Validation as a Powerful Tool in Receptor-Based Drug Design

Published:1998-02-18 Issue:6 Volume:41 Page:836-852
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Pérez Carlos¹,Pastor Manuel¹,Ortiz Angel R.¹,Gago Federico¹

Affiliation:

1. Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm970535b

Reference59 articles.

1. Application of the Three-Dimensional Structures of Protein Target Molecules in Structure-Based Drug Design

2. Protein Structure-Based Drug Design

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

4. The statistical-thermodynamic basis for computation of binding affinities: a critical review

Cited by 131 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Chirality Descriptors for Numerical Characterization of Enantiomers and Diastereomers;Synthesis Lectures on Mathematics & Statistics;2024-09-03

2. Machine learning methods for developments of binding kinetic models in predicting protein‐ligand dissociation rate constants;Smart Molecules;2023-11-10

3. Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses;Structure;2023-05

4. Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal;Journal of Computer-Aided Molecular Design;2022-06-18

5. Prediction of the Drug–Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis;Journal of Chemical Information and Modeling;2021-07-01