Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation-Reference-Cited by-同舟云学术

Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation

Published:2017-04-16 Issue:15 Volume:38 Page:1229-1237
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Gao Cen¹,Desaphy Jeremy¹,Vieth Michal²^ORCID

Affiliation:

1. Discovery chemistry, Lilly Research Laboratories, Eli Lilly and Company; Lilly Corporate Center, Discovery Chemistry Research and Technologies, DC 1931 Indianapolis Indiana 46285

2. Discovery Chemistry Research, Lilly Biotechnology Center; San Diego, California 92121

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference30 articles.

1. What Can We Learn from Molecular Recognition in Protein–Ligand Complexes for the Design of New Drugs?

2. Signalling the fat controller

3. Structure-Based Strategies for Drug Design and Discovery

4. PSCDB: a database for protein structural change upon ligand binding

5. Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations

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