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Kazuo Kitaura

Showing results (11-20 of 75) with videos related to

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The Journal of Chemical Physics|November 10, 2009
The role of the exchange in the embedding electrostatic potential for the fragment molecular orbital methodDmitri G Fedorov, Kazuo Kitaura
The Journal of Chemical Physics|September 17, 2017
Many-body expansion of the Fock matrix in the fragment molecular orbital methodDmitri G Fedorov, Kazuo Kitaura
Bioorganic & Medicinal Chemistry Letters|October 10, 2006
Binding affinity prediction of non-peptide inhibitors of HIV-1 protease using COMBINE model introduced from peptide inhibitorsShinya Nakamura, Isao Nakanishi, Kazuo Kitaura
Bioorganic & Medicinal Chemistry|August 9, 2011
CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: an ab initio fragment molecular orbital (FMO) studyTomonaga Ozawa, Kosuke Okazaki, Kazuo Kitaura
Journal of Chemical Information and Modeling|February 27, 2009
Binding free energy calculations of adenosine deaminase inhibitor and the effect of methyl substitution in inhibitorsTakahiro Kosugi, Isao Nakanishi, Kazuo Kitaura
Journal of Computational Chemistry|June 29, 2011
Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: an ab initio fragment molecular orbital studyTomonaga Ozawa, Kosuke Okazaki, Kazuo Kitaura
The Journal of Physical Chemistry. A|July 13, 2006
Multilayer formulation of the fragment molecular orbital method (FMO)Dmitri G Fedorov, Toyokazu Ishida, Kazuo Kitaura
Proteins|March 28, 2007
Molecular recognition mechanism of FK506 binding protein: an all-electron fragment molecular orbital studyIsao Nakanishi, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Physical Chemistry. B|February 14, 2006
All electron quantum chemical calculation of the entire enzyme system confirms a collective catalytic device in the chorismate mutase reactionToyokazu Ishida, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Physical Chemistry. B|November 6, 2010
Binding of influenza A virus hemagglutinin to the sialoside receptor is not controlled by the homotropic allosteric effectToshihiko Sawada, Dmitri G Fedorov, Kazuo Kitaura
Pageof 8

Showing results (11-20 of 75) with videos related to

Sort By:
Pageof 8
The Journal of Chemical Physics|November 10, 2009
The role of the exchange in the embedding electrostatic potential for the fragment molecular orbital methodDmitri G Fedorov, Kazuo Kitaura
The Journal of Chemical Physics|September 17, 2017
Many-body expansion of the Fock matrix in the fragment molecular orbital methodDmitri G Fedorov, Kazuo Kitaura
Bioorganic & Medicinal Chemistry Letters|October 10, 2006
Binding affinity prediction of non-peptide inhibitors of HIV-1 protease using COMBINE model introduced from peptide inhibitorsShinya Nakamura, Isao Nakanishi, Kazuo Kitaura
Bioorganic & Medicinal Chemistry|August 9, 2011
CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: an ab initio fragment molecular orbital (FMO) studyTomonaga Ozawa, Kosuke Okazaki, Kazuo Kitaura
Journal of Chemical Information and Modeling|February 27, 2009
Binding free energy calculations of adenosine deaminase inhibitor and the effect of methyl substitution in inhibitorsTakahiro Kosugi, Isao Nakanishi, Kazuo Kitaura
Journal of Computational Chemistry|June 29, 2011
Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: an ab initio fragment molecular orbital studyTomonaga Ozawa, Kosuke Okazaki, Kazuo Kitaura
The Journal of Physical Chemistry. A|July 13, 2006
Multilayer formulation of the fragment molecular orbital method (FMO)Dmitri G Fedorov, Toyokazu Ishida, Kazuo Kitaura
Proteins|March 28, 2007
Molecular recognition mechanism of FK506 binding protein: an all-electron fragment molecular orbital studyIsao Nakanishi, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Physical Chemistry. B|February 14, 2006
All electron quantum chemical calculation of the entire enzyme system confirms a collective catalytic device in the chorismate mutase reactionToyokazu Ishida, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Physical Chemistry. B|November 6, 2010
Binding of influenza A virus hemagglutinin to the sialoside receptor is not controlled by the homotropic allosteric effectToshihiko Sawada, Dmitri G Fedorov, Kazuo Kitaura
Pageof 8