Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion-Reference-Cited by-同舟云学术

Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion

Published:2013-09-25 Issue:10 Volume:53 Page:2493-2498
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Gohlke Holger¹,Hergert Ulrike¹,Meyer Tatu¹,Mulnaes Daniel¹,Grieshaber Manfred K.¹,Smits Sander H. J.¹,Schmitt Lutz¹

Affiliation:

1. Institute for Pharmaceutical and Medicinal Chemistry and ‡Institute of Biochemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University, 40204 Düsseldorf, Germany

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/ci400370y

Reference25 articles.

1. How Does a Drug Molecule Find Its Target Binding Site?

2. Pathway and mechanism of drug binding to G-protein-coupled receptors

3. Visualizing the Induced Binding of SH2-Phosphopeptide

4. Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

5. Structure and dynamics of the M3 muscarinic acetylcholine receptor

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