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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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Detalles Bibliográficos
Autores principales: Denarie, Laurent, Al-Bluwi, Ibrahim, Vaisset, Marc, Siméon, Thierry, Cortés, Juan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017905/
https://www.ncbi.nlm.nih.gov/pubmed/29425162
http://dx.doi.org/10.3390/molecules23020373