Segmenting Proteins into Tripeptides to Enhance Conformational Sampling with Monte Carlo Methods

Segmenting Proteins into Tripeptides to Enhance Conformational Sampling with Monte Carlo Methods

This paper presents an approach to enhance conformational sampling of proteins employing stochastic algorithms such as Monte Carlo (MC) methods. The approach is based on a mechanistic representation of proteins and on the application of methods originating from robotics. We outline the general ideas...

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Bibliographic Details
Main Authors: Laurent Denarie, Ibrahim Al-Bluwi, Marc Vaisset, Thierry Siméon, Juan Cortés
Format: Article
Language:English
Published: MDPI AG 2018-02-01
Series:Molecules
Subjects:
conformational sampling
Monte Carlo
proteins
robotics-inspired approach
Online Access:http://www.mdpi.com/1420-3049/23/2/373

Internet

http://www.mdpi.com/1420-3049/23/2/373

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