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Kazuo Kitaura

Showing results (31-40 of 75) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 6, 2021
On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactionsSoumi Tribedi, Kazuo Kitaura, Takahito Nakajima, et al.
Protein Science : a Publication of the Protein Society|April 25, 2008
Cl-pi interactions in protein-ligand complexesYumi N Imai, Yoshihisa Inoue, Isao Nakanishi, et al.
Journal of Computational Chemistry|March 6, 2009
Amide-pi interactions between formamide and benzeneYumi N Imai, Yoshihisa Inoue, Isao Nakanishi, et al.
Accounts of Chemical Research|August 22, 2014
The use of many-body expansions and geometry optimizations in fragment-based methodsDmitri G Fedorov, Naoya Asada, Isao Nakanishi, et al.
The Journal of Chemical Physics|March 3, 2017
Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equationsTomomi Shimazaki, Kazuo Kitaura, Dmitri G Fedorov, et al.
The Journal of Physical Chemistry. B|January 2, 2009
Cluster hydration model for binding energy calculations of protein-ligand complexesKatsumi Murata, Dmitri G Fedorov, Isao Nakanishi, et al.
The Journal of Chemical Physics|June 7, 2012
Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital methodTakeshi Nagata, Dmitri G Fedorov, Hui Li, et al.
The Journal of Chemical Physics|August 3, 2011
Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital methodTakeshi Nagata, Dmitri G Fedorov, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A|August 17, 2012
Analysis of solute-solvent interactions in the fragment molecular orbital method interfaced with effective fragment potentials: theory and application to a solvated griffithsin-carbohydrate complexTakeshi Nagata, Dmitri G Fedorov, Toshihiko Sawada, et al.
The Journal of Physical Chemistry. B|August 11, 2006
Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital methodKaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, et al.
Pageof 8

Showing results (31-40 of 75) with videos related to

Sort By:
Pageof 8
Physical Chemistry Chemical Physics : PCCP|October 6, 2021
On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactionsSoumi Tribedi, Kazuo Kitaura, Takahito Nakajima, et al.
Protein Science : a Publication of the Protein Society|April 25, 2008
Cl-pi interactions in protein-ligand complexesYumi N Imai, Yoshihisa Inoue, Isao Nakanishi, et al.
Journal of Computational Chemistry|March 6, 2009
Amide-pi interactions between formamide and benzeneYumi N Imai, Yoshihisa Inoue, Isao Nakanishi, et al.
Accounts of Chemical Research|August 22, 2014
The use of many-body expansions and geometry optimizations in fragment-based methodsDmitri G Fedorov, Naoya Asada, Isao Nakanishi, et al.
The Journal of Chemical Physics|March 3, 2017
Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equationsTomomi Shimazaki, Kazuo Kitaura, Dmitri G Fedorov, et al.
The Journal of Physical Chemistry. B|January 2, 2009
Cluster hydration model for binding energy calculations of protein-ligand complexesKatsumi Murata, Dmitri G Fedorov, Isao Nakanishi, et al.
The Journal of Chemical Physics|June 7, 2012
Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital methodTakeshi Nagata, Dmitri G Fedorov, Hui Li, et al.
The Journal of Chemical Physics|August 3, 2011
Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital methodTakeshi Nagata, Dmitri G Fedorov, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A|August 17, 2012
Analysis of solute-solvent interactions in the fragment molecular orbital method interfaced with effective fragment potentials: theory and application to a solvated griffithsin-carbohydrate complexTakeshi Nagata, Dmitri G Fedorov, Toshihiko Sawada, et al.
The Journal of Physical Chemistry. B|August 11, 2006
Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital methodKaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, et al.
Pageof 8