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Journal of the American Chemical Society
|
November 6, 2010
Role of the key mutation in the selective binding of avian and human influenza hemagglutinin to sialosides revealed by quantum-mechanical calculations
Toshihiko Sawada, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Chemical Physics
|
September 18, 2007
Time-dependent density functional theory based upon the fragment molecular orbital method
Mahito Chiba, Dmitri G Fedorov, Kazuo Kitaura
Physical Chemistry Chemical Physics : PCCP
|
March 14, 2012
Exploring chemistry with the fragment molecular orbital method
Dmitri G Fedorov, Takeshi Nagata, Kazuo Kitaura
Journal of Computational Chemistry
|
May 20, 2008
Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory
Mahito Chiba, Dmitri G Fedorov, Kazuo Kitaura
Journal of the American Chemical Society
|
May 12, 2011
Catalyst-controlled torquoselectivity switch in the 4π ring-opening reaction of 2-amino-2-azetines giving β-substituted α,β-unsaturated amidines
Naoya Shindoh, Kazuo Kitaura, Yoshiji Takemoto, et al.
The Journal of Physical Chemistry. A
|
May 6, 2010
Systematic study of the embedding potential description in the fragment molecular orbital method
Dmitri G Fedorov, Lyudmila V Slipchenko, Kazuo Kitaura
Journal of Computational Chemistry
|
July 2, 2009
Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein
Katsumi Murata, Naoya Nagata, Isao Nakanishi, et al.
Journal of Computational Chemistry
|
September 15, 2010
SDOVS: a solvent dipole ordering-based method for virtual screening
Katsumi Murata, Naoya Nagata, Isao Nakanishi, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
The fragment molecular orbital method for geometry optimizations of polypeptides and proteins
Dmitri G Fedorov, Toyokazu Ishida, Masami Uebayasi, et al.
Journal of Computational Chemistry
|
March 7, 2007
Change in a protein's electronic structure induced by an explicit solvent: an ab initio fragment molecular orbital study of ubiquitin
Yuto Komeiji, Toyokazu Ishida, Dmitri G Fedorov, et al.
Page
of 8
Search research articles
Search
Showing results (21-30 of 75) with videos related to
Sort By:
Page
of 8
Journal of the American Chemical Society
|
November 6, 2010
Role of the key mutation in the selective binding of avian and human influenza hemagglutinin to sialosides revealed by quantum-mechanical calculations
Toshihiko Sawada, Dmitri G Fedorov, Kazuo Kitaura
The Journal of Chemical Physics
|
September 18, 2007
Time-dependent density functional theory based upon the fragment molecular orbital method
Mahito Chiba, Dmitri G Fedorov, Kazuo Kitaura
Physical Chemistry Chemical Physics : PCCP
|
March 14, 2012
Exploring chemistry with the fragment molecular orbital method
Dmitri G Fedorov, Takeshi Nagata, Kazuo Kitaura
Journal of Computational Chemistry
|
May 20, 2008
Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory
Mahito Chiba, Dmitri G Fedorov, Kazuo Kitaura
Journal of the American Chemical Society
|
May 12, 2011
Catalyst-controlled torquoselectivity switch in the 4π ring-opening reaction of 2-amino-2-azetines giving β-substituted α,β-unsaturated amidines
Naoya Shindoh, Kazuo Kitaura, Yoshiji Takemoto, et al.
The Journal of Physical Chemistry. A
|
May 6, 2010
Systematic study of the embedding potential description in the fragment molecular orbital method
Dmitri G Fedorov, Lyudmila V Slipchenko, Kazuo Kitaura
Journal of Computational Chemistry
|
July 2, 2009
Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein
Katsumi Murata, Naoya Nagata, Isao Nakanishi, et al.
Journal of Computational Chemistry
|
September 15, 2010
SDOVS: a solvent dipole ordering-based method for virtual screening
Katsumi Murata, Naoya Nagata, Isao Nakanishi, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
The fragment molecular orbital method for geometry optimizations of polypeptides and proteins
Dmitri G Fedorov, Toyokazu Ishida, Masami Uebayasi, et al.
Journal of Computational Chemistry
|
March 7, 2007
Change in a protein's electronic structure induced by an explicit solvent: an ab initio fragment molecular orbital study of ubiquitin
Yuto Komeiji, Toyokazu Ishida, Dmitri G Fedorov, et al.
Page
of 8