Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA
Author:
Affiliation:
1. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden
2. Medicinal Chemistry, AstraZeneca R&D, SE-431 83 Mölndal, Sweden
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci100458f
Reference55 articles.
1. Perspectives on Factor Xa Inhibition
2. Design and Quantitative Structure−Activity Relationship of 3-Amidinobenzyl-1H-indole-2-carboxamides as Potent, Nonchiral, and Selective Inhibitors of Blood Coagulation Factor Xa
3. Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations
4. Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling
5. The coagulation cascade: initiation, maintenance, and regulation
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