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Miyata, Tatsuhiko, Hirata, Fumio (2008) Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution. Journal of Computational Chemistry, 29 (6). 871-882 doi:10.1002/jcc.20844

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Reference TypeJournal (article/letter/editorial)
TitleCombination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution
JournalJournal of Computational Chemistry
AuthorsMiyata, TatsuhikoAuthor
Hirata, FumioAuthor
Year2008 (April 30)Volume29
Issue6
PublisherWiley
DOIdoi:10.1002/jcc.20844Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3149259Long-form Identifiermindat:1:5:3149259:1
GUID0
Full ReferenceMiyata, Tatsuhiko, Hirata, Fumio (2008) Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution. Journal of Computational Chemistry, 29 (6). 871-882 doi:10.1002/jcc.20844
Plain TextMiyata, Tatsuhiko, Hirata, Fumio (2008) Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution. Journal of Computational Chemistry, 29 (6). 871-882 doi:10.1002/jcc.20844
In(2008, April) Journal of Computational Chemistry Vol. 29 (6) Wiley

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Maruyama, Yutaka, Yoshida, Norio, Tadano, Hiroto, Takahashi, Daisuke, Sato, Mitsuhisa, Hirata, Fumio (2014) Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT. Journal of Computational Chemistry, 35 (18). 1347-1355 doi:10.1002/jcc.23619
Mak, C. H. (2008) RNA conformational sampling. I. Single-nucleotide loop closure. Journal of Computational Chemistry, 29 (6). 926-933 doi:10.1002/jcc.20851
Maruyama, Yutaka, Yoshida, Norio, Hirata, Fumio (2010) Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory. The Journal of Physical Chemistry B, 114 (19). 6464-6471 doi:10.1021/jp912141u
Yoshida, Norio, Hirata, Fumio (2006) A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions. Journal of Computational Chemistry, 27 (4). 453-462 doi:10.1002/jcc.20356
Nishiyama, Katsura, Yamaguchi, Tsuyoshi, Hirata, Fumio, Okada, Tadashi (2004) Solute Dependence of Polar Solvation Dynamics Studied by RISM/Mode-Coupling Theory. Journal of Solution Chemistry, 33 (6) 631-639 doi:10.1023/b:josl.0000043630.84035.00
Kinoshita, Masahiro, Okamoto, Yuko, Hirata, Fumio (1998) Calculation of solvation free energy using RISM theory for peptide in salt solution. Journal of Computational Chemistry, 19 (15). 1724-1735 doi:10.1002/(sici)1096-987x(19981130)19:15<1724::aid-jcc5>3.0.co;2-p
Phongphanphanee, Saree, Yoshida, Norio, Hirata, Fumio (2010) Molecular Selectivity in Aquaporin Channels Studied by the 3D- RISM Theory. The Journal of Physical Chemistry B, 114 (23). 7967-7973 doi:10.1021/jp101936y
Ikebe, Jinzen; Kono, Hidetoshi (2025) Feasibility of Combining Biomolecular Conformational Sampling Techniques for Molecular Dynamics Simulation. Journal of Computational Chemistry, 46 (20). doi:10.1002/jcc.70192
Hirata, Fumio, Levy, Ronald M. (1989) Salt-induced conformational changes in DNA: analysis using the polymer RISM theory. The Journal of Physical Chemistry, 93 (1). 479-484 doi:10.1021/j100338a092
Phongphanphanee, Saree, Yoshida, Norio, Hirata, Fumio (2011) Reply to “Comment on 'Molecular Selectivity in Aquaporin Channels Studied by the 3D- RISM Theory'”. The Journal of Physical Chemistry B, 115 (25). 8367-8369 doi:10.1021/jp203661z
Sindhikara, Daniel J., Hirata, Fumio (2013) Analysis of Biomolecular Solvation Sites by 3D-RISM Theory. The Journal of Physical Chemistry B, 117 (22). 6718-6723 doi:10.1021/jp4046116
 
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