An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics-Reference-Cited by-同舟云学术

An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

Published:2009-09-14 Issue:10 Volume:5 Page:2909-2923
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Armen Roger S.¹,Chen Jianhan¹,Brooks Charles L.¹

Affiliation:

1. Department of Chemistry, 930 N. University Ave, University of Michigan, Ann Arbor, Michigan 48109 and Department of Biochemistry, Kansas State University, Manhattan, Kansas 66506

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900262t

Reference61 articles.

1. Protein flexibility and drug design: how to hit a moving target

2. High-throughput docking for lead generation

3. A database of macromolecular motions

4. Structure-Based Molecular Design

5. Comparative Virtual and Experimental High-Throughput Screening for Glycogen Synthase Kinase-3β Inhibitors

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