GA-guided mD-VcMD: A genetic-algorithm-guided method for multi-dimensional virtual-system coupled molecular dynamics

We introduced a conformational sampling method in an earlier report: The multi-dimensional virtual-system coupled molecular dynamics (mD-VcMD) enhances conformational sampling of a biomolecular system by computer simulations. Herein, new sampling method, a subzone-based mD-VcMD, is presented as an e...

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發表在:Biophys Physicobiol
Main Authors: Higo, Junichi, Kusaka, Ayumi, Kasahara, Kota, Kamiya, Narutoshi, Hayato, Itaya, Qilin, Xie, Takahashi, Takuya, Fukuda, Ikuo, Mori, Kentaro, Hata, Yutaka, Fukunishi, Yoshifumi
格式: Artigo
語言:Inglês
出版: The Biophysical Society of Japan 2020
主題:
Method and Protocol
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC7840461/
https://ncbi.nlm.nih.gov/pubmed/33585149
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2142/biophysico.BSJ-2020008
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