Protein structure predictions by enhanced conformational sampling methods

In this Special Festschrift Issue for the celebration of Professor Nobuhiro Gō’s 80th birthday, we review enhanced conformational sampling methods for protein structure predictions. We present several generalized-ensemble algorithms such as multicanonical algorithm, replica-exchange method, etc. and...

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Detalles Bibliográficos
Autor principal: Okamoto, Yuko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society of Japan (BSJ) 2019
Materias:
Review Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6976031/
https://www.ncbi.nlm.nih.gov/pubmed/31984190
http://dx.doi.org/10.2142/biophysico.16.0_344
Descripción
Sumario:In this Special Festschrift Issue for the celebration of Professor Nobuhiro Gō’s 80th birthday, we review enhanced conformational sampling methods for protein structure predictions. We present several generalized-ensemble algorithms such as multicanonical algorithm, replica-exchange method, etc. and parallel Monte Carlo or molecular dynamics method with genetic crossover. Examples of the results of these methods applied to the predictions of protein tertiary structures are also presented.

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