Fuzzy Tricentric Pharmacophore Fingerprints. 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes-Reference-Cited by-同舟云学术

Fuzzy Tricentric Pharmacophore Fingerprints. 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes

Published:2006-10-21 Issue:6 Volume:46 Page:2457-2477
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bonachéra Fanny¹,Parent Benjamin¹,Barbosa Frédérique¹,Froloff Nicolas¹,Horvath Dragos¹

Affiliation:

1. Unite Mixte de Recherche 8576 Centre Nationale de la Recherche Scientifique − Unité de Glycobiologie Structurale & Fonctionnelle, Université des Sciences et Technologies de Lille, Bât. C9-59655 Villeneuve d’Ascq Cedex, France, and Cerep, Department of Molecular Modeling, 19 Avenue du Québec, 91951 Courtaboeuf Cedex, France

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/ci6002416

Reference43 articles.

1. Integrating research and development: the emergence of rational drug design in the pharmaceutical industry

2. Use of the Tubulin Bound Paclitaxel Conformation for Structure-Based Rational Drug Design

3. Molecular Modeling and Molecular Dynamics Simulation of the Human A2B Adenosine Receptor. The Study of the Possible Binding Modes of the A2B Receptor Antagonists

4. Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

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