Proceedings of the Symposium on Chemoinformatics
40th Symposium on Chemoinformatics, Yamaguchi
Conference information

Host: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan

Name : Symposium on Chemoinformatics

Number : 40

Location : [in Japanese]

Date : October 26, 2017 - October 27, 2017

Poster Session
Molecular dynamics and random matrix analysis of protein-ligand interaction
*Masanori Yamanaka
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Keywords: molecular dynamics, protein ligand interaction, time series analysis
CONFERENCE PROCEEDINGS FREE ACCESS

Pages P7-

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Abstract
We study protein-ligand interaction by analyzing the time series data from molecular dynamics simulation using the random matrix theory. We construct the time-dependent variance-covariance matrix and analyze the eigensystem. As an example, we present a result for a protein, PDBID:4YDP.
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