Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores-Reference-Cited by-同舟云学术

Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores

Published:2008-06-21 Issue:7 Volume:48 Page:1396-1410
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Barillari Caterina¹,Marcou Gilles¹,Rognan Didier¹

Affiliation:

1. Bioinformatics of the Drug, UMR 7175 CNRS-ULP (Université Louis Pasteur-Strasbourg I), 74 route du Rhin, B.P. 24, F-67400 Illkirch, France, and Laboratoire d’Infochimie, UMR 7551 CNRS, Université Louis Pasteur-Strasbourg I, 4 rue B. Pascal, F-67000 Strasbourg, 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/ci800064z

Reference70 articles.

1. Docking and scoring in virtual screening for drug discovery: methods and applications

2. Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go

3. A Critical Assessment of Docking Programs and Scoring Functions

4. Comparative evaluation of eight docking tools for docking and virtual screening accuracy

5. Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins

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