Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling

This work presents a replica exchanging self-guided Langevin dynamics (RXSGLD) simulation method for efficient conformational searching and sampling. Unlike temperature-based replica exchanging simulations, which use high temperatures to accelerate conformational motion, this method uses self-guided...

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Detaylı Bibliyografya
Asıl Yazarlar: Wu, Xiongwu, Hodoscek, Milan, Brooks, Bernard R.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: American Institute of Physics 2012
Konular:
Theoretical Methods and Algorithms
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3416874/
https://ncbi.nlm.nih.gov/pubmed/22852596
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4737094
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