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Takeshi Ishikawa
Takeshi Ishikawa
Bestätigte E-Mail-Adresse bei cb.kagoshima-u.ac.jp - Startseite
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Zitiert von
Zitiert von
Jahr
Theoretical study on the photoisomerization of azobenzene
T Ishikawa, T Noro, T Shoda
The Journal of Chemical Physics 115 (16), 7503-7512, 2001
2232001
Theoretical study of the prion protein based on the fragment molecular orbital method
T Ishikawa, T Ishikura, K Kuwata
Journal of computational chemistry 30 (16), 2594-2601, 2009
1282009
How Does an SN2 Reaction Take Place in Solution? Full Ab Initio MD Simulations for the Hydrolysis of the Methyl Diazonium Ion
M Sato, H Yamataka, Y Komeiji, Y Mochizuki, T Ishikawa, T Nakano
Journal of the American Chemical Society 130 (8), 2396-2397, 2008
792008
Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance
K Okada, M Araki, T Sakashita, B Ma, R Kanada, N Yanagitani, A Horiike, ...
EBioMedicine 41, 105-119, 2019
782019
Fragment molecular orbital calculation using the RI-MP2 method
T Ishikawa, K Kuwata
Chemical Physics Letters 474 (1-3), 195-198, 2009
782009
Parallelized integral-direct CIS (D) calculations with multilayer fragment molecular orbital scheme
Y Mochizuki, K Tanaka, K Yamashita, T Ishikawa, T Nakano, S Amari, ...
Theoretical Chemistry Accounts 117 (4), 541-553, 2007
722007
Fragment interaction analysis based on local MP2
T Ishikawa, Y Mochizuki, S Amari, T Nakano, H Tokiwa, S Tanaka, ...
Theoretical Chemistry Accounts 118 (5), 937-945, 2007
692007
A fully quantum mechanical simulation study on the lowest n–π∗ state of hydrated formaldehyde
Y Mochizuki, Y Komeiji, T Ishikawa, T Nakano, H Yamataka
Chemical physics letters 437 (1-3), 66-72, 2007
652007
Fragment Molecular Orbital method‐based Molecular Dynamics (FMO‐MD) as a simulator for chemical reactions in explicit solvation
Y Komeiji, T Ishikawa, Y Mochizuki, H Yamataka, T Nakano
Journal of computational chemistry 30 (1), 40-50, 2009
622009
Fragment molecular orbital calculations on large scale systems containing heavy metal atom
T Ishikawa, Y Mochizuki, T Nakano, S Amari, H Mori, H Honda, T Fujita, ...
Chemical physics letters 427 (1-3), 159-165, 2006
552006
Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information …
M Ito, K Fukuzawa, T Ishikawa, Y Mochizuki, T Nakano, S Tanaka
The Journal of Physical Chemistry B 112 (38), 12081-12094, 2008
482008
RI-MP2 gradient calculation of large molecules using the fragment molecular orbital method
T Ishikawa, K Kuwata
The Journal of Physical Chemistry Letters 3 (3), 375-379, 2012
432012
Fragment molecular orbital calculations on red fluorescent proteins (DsRed and mFruits)
N Taguchi, Y Mochizuki, T Nakano, S Amari, K Fukuzawa, T Ishikawa, ...
The Journal of Physical Chemistry B 113 (4), 1153-1161, 2009
412009
Application of the fragment molecular orbital method for determination of atomic charges on polypeptides. II. Towards an improvement of force fields used for classical …
Y Okiyama, H Watanabe, K Fukuzawa, T Nakano, Y Mochizuki, ...
Chemical Physics Letters 467 (4-6), 417-423, 2009
402009
Interaction analysis of the native structure of prion protein with quantum chemical calculations
T Ishikawa, K Kuwata
Journal of Chemical Theory and Computation 6 (2), 538-547, 2010
392010
Application of the fragment molecular orbital method for determination of atomic charges on polypeptides
Y Okiyama, H Watanabe, K Fukuzawa, T Nakano, Y Mochizuki, ...
Chemical Physics Letters 449 (4-6), 329-335, 2007
332007
Fragment molecular orbital calculations on red fluorescent protein (DsRed)
Y Mochizuki, T Nakano, S Amari, T Ishikawa, K Tanaka, M Sakurai, ...
Chemical physics letters 433 (4-6), 360-367, 2007
332007
Dynamic polarizability calculation with fragment molecular orbital scheme
Y Mochizuki, T Ishikawa, K Tanaka, H Tokiwa, T Nakano, S Tanaka
Chemical physics letters 418 (4-6), 418-422, 2006
332006
An application of fragment interaction analysis based on local MP2
T Ishikawa, Y Mochizuki, S Amari, T Nakano, S Tanaka, K Tanaka
Chemical Physics Letters 463 (1-3), 189-194, 2008
312008
Partial energy gradient based on the fragment molecular orbital method: Application to geometry optimization
T Ishikawa, N Yamamoto, K Kuwata
Chemical Physics Letters 500 (1-3), 149-154, 2010
292010
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