Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints-Reference-Cited by-同舟云学术

Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints

Published:2013-03-29 Issue:4 Volume:53 Page:763-772
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Chupakhin Vladimir¹²,Marcou Gilles¹,Baskin Igor¹,Varnek Alexandre¹,Rognan Didier²

Affiliation:

1. Laboratory of Chemoinformatics, UMR 7177 University of Strasbourg/CNRS, 4 rue B. Pascal, 67000 Strasbourg, France

2. Laboratory of Therapeutic Innovation, UMR 7200 University of Strasbourg/CNRS, MEDALIS Drug Discovery Center, 74 route du Rhin, F-67400 Illkirch-Graffenstaden, 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/ci300200r

Reference37 articles.

1. Structure-based drug design to augment hit discovery

2. Molecular Recognition and Docking Algorithms

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

4. Docking Methods for Virtual Screening: Principles and Recent Advances

5. Docking Performance of Fragments and Druglike Compounds

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