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Journal of Molecular Graphics & Modelling
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April 30, 2020
Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method
Daisuke Takaya, Hideaki Niwa, Junko Mikuni, et al.
Proteins
|
September 27, 2007
Fams-ace: a combined method to select the best model after remodeling all server models
Genki Terashi, Mayuko Takeda-Shitaka, Kazuhiko Kanou, et al.
The Journal of Physical Chemistry Letters
|
April 6, 2023
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit
Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, et al.
Scientific Data
|
October 24, 2024
Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method
Daisuke Takaya, Shu Ohno, Toma Miyagishi, et al.
Journal of Chemical Information and Modeling
|
September 10, 2021
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins
Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe, et al.
Bioorganic & Medicinal Chemistry
|
March 15, 2020
Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers
Mohamed O Radwan, Daisuke Takaya, Ryoko Koga, et al.
Bioorganic & Medicinal Chemistry
|
October 23, 2004
Remarkably different structures and reaction mechanisms of ketoreductases for the opposite stereochemical control in the biosynthesis of BIQ antibiotics
Takaaki Taguchi, Kanako Kunieda, Mayuko Takeda-Shitaka, et al.
Bioorganic & Medicinal Chemistry
|
May 20, 2022
New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety
Nobuo Cho, Ko Kikuzato, Yushi Futamura, et al.
Archives of Biochemistry and Biophysics
|
August 24, 2024
Docosahexaenoic acid enhances the treatment efficacy for castration-resistant prostate cancer by inhibiting autophagy through Atg4B inhibition
Yudai Kudo, Kana Nakamura, Honoka Tsuzuki, et al.
Bioorganic & Medicinal Chemistry
|
October 14, 2011
A new method for induced fit docking (GENIUS) and its application to virtual screening of novel HCV NS3-4A protease inhibitors
Daisuke Takaya, Atsuya Yamashita, Kazue Kamijo, et al.
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of 3
Search research articles
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Showing results (11-20 of 29) with videos related to
Sort By:
Page
of 3
Journal of Molecular Graphics & Modelling
|
April 30, 2020
Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method
Daisuke Takaya, Hideaki Niwa, Junko Mikuni, et al.
Proteins
|
September 27, 2007
Fams-ace: a combined method to select the best model after remodeling all server models
Genki Terashi, Mayuko Takeda-Shitaka, Kazuhiko Kanou, et al.
The Journal of Physical Chemistry Letters
|
April 6, 2023
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit
Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, et al.
Scientific Data
|
October 24, 2024
Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method
Daisuke Takaya, Shu Ohno, Toma Miyagishi, et al.
Journal of Chemical Information and Modeling
|
September 10, 2021
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins
Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe, et al.
Bioorganic & Medicinal Chemistry
|
March 15, 2020
Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers
Mohamed O Radwan, Daisuke Takaya, Ryoko Koga, et al.
Bioorganic & Medicinal Chemistry
|
October 23, 2004
Remarkably different structures and reaction mechanisms of ketoreductases for the opposite stereochemical control in the biosynthesis of BIQ antibiotics
Takaaki Taguchi, Kanako Kunieda, Mayuko Takeda-Shitaka, et al.
Bioorganic & Medicinal Chemistry
|
May 20, 2022
New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety
Nobuo Cho, Ko Kikuzato, Yushi Futamura, et al.
Archives of Biochemistry and Biophysics
|
August 24, 2024
Docosahexaenoic acid enhances the treatment efficacy for castration-resistant prostate cancer by inhibiting autophagy through Atg4B inhibition
Yudai Kudo, Kana Nakamura, Honoka Tsuzuki, et al.
Bioorganic & Medicinal Chemistry
|
October 14, 2011
A new method for induced fit docking (GENIUS) and its application to virtual screening of novel HCV NS3-4A protease inhibitors
Daisuke Takaya, Atsuya Yamashita, Kazue Kamijo, et al.
Page
of 3