An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel

An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel

In this paper, a novel method to compute side chain conformational variations for a protein molecule tunnel (or channel) is proposed. From the conformational variations, we compute the flexibly deformed shapes of the initial tunnel, and present a way to compute the maximum size of the ligand that ca...

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Bibliographic Details
Main Authors: Udeok Seo, Ku-Jin Kim, Beom Sik Kang
Format: Article
Language:English
Published: MDPI AG 2018-09-01
Series:Molecules
Subjects:
protein molecule
side chain rotamer
conformation
tunnel
channel
flexibility
visualization
Online Access:http://www.mdpi.com/1420-3049/23/10/2459

Internet

http://www.mdpi.com/1420-3049/23/10/2459

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