Multidimensional umbrella sampling and replica-exchange molecular dynamics simulations for structure prediction of transmembrane helix dimers

Author:

Li Pai-Chi12,Miyashita Naoyuki3,Im Wonpil4,Ishido Satoshi15,Sugita Yuji236

Affiliation:

1. RIKEN Research Center for Allergy and Immunology (RCAI), 1-7-22 Suehiro-cho; Tsurumi-ku,Yokohama Kanagawa 230-0045 Japan

2. RIKEN Theoretical Molecular Science Laboratory; 2-1 Hirosawa Wako Saitama 351-0198 Japan

3. RIKEN Quantitative Biology Center (QBiC), IMDA 6F, 1-6-5 Minatojimaminami-machi; Chuo-ku, Kobe Hyogo 650-0047 Japan

4. Department of Molecular Sciences and Center for Bioinformatics; University of Kansas; Lawrence Kansas 66047 USA

5. Laboratory of integrative infection immunology; Showa Pharmaceutical University; 3-3165 Higashi-Tamagawagakuen Machida Tokyo 194-8543 Japan

6. RIKEN Advanced Institute for Computational Science; 7-1-26 Minatojimaminami-machi Chuo-ku Kobe 650-0047 Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

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