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Toru Saito

Showing results (1-10 of 34) with videos related to

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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 19, 2021
Spin-projected QM/MM Free Energy Simulations for Oxidation Reaction of Guanine in B-DNA by Singlet OxygenToru Saito, Yu Takano
The Journal of Physical Chemistry. A|October 24, 2012
Analytical gradients for density functional calculations with approximate spin projectionToru Saito, Walter Thiel
The Journal of Physical Chemistry. B|April 26, 2014
Quantum mechanics/molecular mechanics study of oxygen binding in hemocyaninToru Saito, Walter Thiel
The Journal of Physical Chemistry. B|March 3, 2022
QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of UreaseToru Saito, Yu Takano
The Journal of Physical Chemistry. A|October 12, 2016
Reparameterization of PM6 Applied to Organic Diradical MoleculesToru Saito, Yasutaka Kitagawa, Yu Takano
Molecules (Basel, Switzerland)|March 29, 2023
Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD StudyShunya Suenaga, Yu Takano, Toru Saito
Molecules (Basel, Switzerland)|December 19, 2018
Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical ResultsToru Saito, Manami Fujiwara, Yu Takano
Physical Chemistry Chemical Physics : PCCP|April 1, 2026
Molecular docking, MM/GBSA, FEP/MD, and DFT/MM MD studies on predicting binding affinity of carbonic anhydrase II inhibitorsRyoma Shimizu, Yu Takano, Toru Saito
The Journal of Chemical Physics|September 25, 2024
Nitrosation mechanisms, kinetics, and dynamics of the guanine and 9-methylguanine radical cations by nitric oxide-Radical-radical combination at different electron configurationsJonathan Benny, Toru Saito, Jianbo Liu
The Journal of Physical Chemistry. B|May 21, 2015
Computational Study of Catalytic Reaction of Quercetin 2,4-DioxygenaseToru Saito, Takashi Kawakami, Shusuke Yamanaka, et al.
Pageof 4

Showing results (1-10 of 34) with videos related to

Sort By:
Pageof 4
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 19, 2021
Spin-projected QM/MM Free Energy Simulations for Oxidation Reaction of Guanine in B-DNA by Singlet OxygenToru Saito, Yu Takano
The Journal of Physical Chemistry. A|October 24, 2012
Analytical gradients for density functional calculations with approximate spin projectionToru Saito, Walter Thiel
The Journal of Physical Chemistry. B|April 26, 2014
Quantum mechanics/molecular mechanics study of oxygen binding in hemocyaninToru Saito, Walter Thiel
The Journal of Physical Chemistry. B|March 3, 2022
QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of UreaseToru Saito, Yu Takano
The Journal of Physical Chemistry. A|October 12, 2016
Reparameterization of PM6 Applied to Organic Diradical MoleculesToru Saito, Yasutaka Kitagawa, Yu Takano
Molecules (Basel, Switzerland)|March 29, 2023
Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD StudyShunya Suenaga, Yu Takano, Toru Saito
Molecules (Basel, Switzerland)|December 19, 2018
Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical ResultsToru Saito, Manami Fujiwara, Yu Takano
Physical Chemistry Chemical Physics : PCCP|April 1, 2026
Molecular docking, MM/GBSA, FEP/MD, and DFT/MM MD studies on predicting binding affinity of carbonic anhydrase II inhibitorsRyoma Shimizu, Yu Takano, Toru Saito
The Journal of Chemical Physics|September 25, 2024
Nitrosation mechanisms, kinetics, and dynamics of the guanine and 9-methylguanine radical cations by nitric oxide-Radical-radical combination at different electron configurationsJonathan Benny, Toru Saito, Jianbo Liu
The Journal of Physical Chemistry. B|May 21, 2015
Computational Study of Catalytic Reaction of Quercetin 2,4-DioxygenaseToru Saito, Takashi Kawakami, Shusuke Yamanaka, et al.
Pageof 4