Segmenting Proteins into Tripeptides to Enhance Conformational Sampling with Monte Carlo Methods
نویسندگان
چکیده
منابع مشابه
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 of our approach and detail how it can be applied to construct several MC move classes, all opera...
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ژورنال
عنوان ژورنال: Molecules
سال: 2018
ISSN: 1420-3049
DOI: 10.3390/molecules23020373