DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment-Reference-Cited by-同舟云学术

DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment

Published:2015-01-16 Issue:2 Volume:55 Page:398-406
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Scholz Christoph¹,Knorr Sabine²,Hamacher Kay²,Schmidt Boris¹

Affiliation:

1. Clemens Schöpf-Institute of Organic Chemistry and Biochemistry, Technische Universität Darmstadt, Alarich-Weiss-Strasse 4, 64287 Darmstadt, Germany

2. Computational Biology & Simulation, Technische Universität Darmstadt, Schnittspahnstraße 10, 64287 Darmstadt, Germany

Funder

Deutsche Forschungsgemeinschaft

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/ci500681r

Reference31 articles.

1. Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

2. A Critical Assessment of Docking Programs and Scoring Functions

3. Proteasome Inhibitors: An Expanding Army Attacking a Unique Target

4. Drug discovery considerations in the development of covalent inhibitors

5. Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

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