Theoretical analysis of peptidyl α-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design-Reference-Cited by-同舟云学术

Theoretical analysis of peptidyl α-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design

Published:2004 Issue:16 Volume:2 Page:2275-2280
ISSN:1477-0520
Container-title:Org. Biomol. Chem.
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Gleeson M. Paul,Hillier Ian H.,Burton Neil A.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2004/OB/B402399D

Reference47 articles.

1. A new method for predicting binding affinity in computer-aided drug design

2. Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo Simulations

3. Ranking ligand binding affinities with avidin: a molecular dynamics-based interaction energy study

4. Molecular Dynamics and Free Energy Analyses of Cathepsin D−Inhibitor Interactions: Insight into Structure-Based Ligand Design

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