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Last Update:2021/03/06
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Availability | Language: FORTRAN 512 Nodes: T2K-Tsukuba、AMD Opteron 8,192Nodes: K, SPARC |
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Core Developers | Fumio Hirata (The institute of Science and Engineering, Ritsumeikan University) |
Target substance/model | Biopolymers including proteins and DNA, aqueous solutions |
Physical quantities that can be computed | Hydration structure, hydration free energy, pseudo dynamics, molecular recognition |
Methodology | RISM/3D-RISM |
Related keywords | |
Document | J. Chem. Theory Comput. 7, pp 3803–3815 (2011) |
Other | 関連アプリ: 3D-RISM-SCF: http://pal.ims.ac.jp/pal/8000.php?t_application_id=5XOQ 3D-RISM/MD: http://pal.ims.ac.jp/pal/8000.php?t_application_id=2HBQ |