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Journal of Chemical Information and Modeling
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June 26, 2025
PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation
Lian Duan, Kowit Hengphasatporn, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
March 28, 2025
Reaction Mechanism Path Sampling Based on Parallel Cascade Selection QM/MM Molecular Dynamics Simulation: PaCS-Q
Lian Duan, Kowit Hengphasatporn, Ryuhei Harada, et al.
The Journal of Physical Chemistry Letters
|
June 13, 2025
Mechanistic Insights into PRRSV Inhibition through CD163-SRCR5 Blockade by PRRSV/CD163-IN-1
Prawit Thitayanuwat, Kowit Hengphasatporn, Surang Chankhamhaengdecha, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2026
Computational insights into the pH-dependent behavior of Ipilimumab-CTLA-4
Wanda Destiarani, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
Journal of Chemical Information and Modeling
|
February 7, 2026
DFDD: A Cloud-Ready Tool for Distance-Guided Fully Dynamic Docking in Host-Guest Complexation
Kowit Hengphasatporn, Lian Duan, Ryuhei Harada, et al.
The Journal of Physical Chemistry Letters
|
May 20, 2024
Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase
Nalinee Kongkaew, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
Journal of Agricultural and Food Chemistry
|
June 6, 2023
Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses
Yohei Munei, Kowit Hengphasatporn, Yuta Hori, et al.
International Journal of Biological Macromolecules
|
January 17, 2025
Structure and catalytic activity of a dihydrofolate reductase-like enzyme from Leptospira interrogans
Charin Chandit, Kowit Hengphasatporn, Pattraporn Donsuy, et al.
Computational and Structural Biotechnology Journal
|
June 10, 2021
Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification
Peerapon Deetanya, Kowit Hengphasatporn, Patcharin Wilasluck, et al.
Peerj
|
May 1, 2023
In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease
Kanpong Boonthaworn, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
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Search research articles
Search
Showing results (1-10 of 73) with videos related to
Sort By:
Page
of 8
Journal of Chemical Information and Modeling
|
June 26, 2025
PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation
Lian Duan, Kowit Hengphasatporn, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
March 28, 2025
Reaction Mechanism Path Sampling Based on Parallel Cascade Selection QM/MM Molecular Dynamics Simulation: PaCS-Q
Lian Duan, Kowit Hengphasatporn, Ryuhei Harada, et al.
The Journal of Physical Chemistry Letters
|
June 13, 2025
Mechanistic Insights into PRRSV Inhibition through CD163-SRCR5 Blockade by PRRSV/CD163-IN-1
Prawit Thitayanuwat, Kowit Hengphasatporn, Surang Chankhamhaengdecha, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2026
Computational insights into the pH-dependent behavior of Ipilimumab-CTLA-4
Wanda Destiarani, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
Journal of Chemical Information and Modeling
|
February 7, 2026
DFDD: A Cloud-Ready Tool for Distance-Guided Fully Dynamic Docking in Host-Guest Complexation
Kowit Hengphasatporn, Lian Duan, Ryuhei Harada, et al.
The Journal of Physical Chemistry Letters
|
May 20, 2024
Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase
Nalinee Kongkaew, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
Journal of Agricultural and Food Chemistry
|
June 6, 2023
Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses
Yohei Munei, Kowit Hengphasatporn, Yuta Hori, et al.
International Journal of Biological Macromolecules
|
January 17, 2025
Structure and catalytic activity of a dihydrofolate reductase-like enzyme from Leptospira interrogans
Charin Chandit, Kowit Hengphasatporn, Pattraporn Donsuy, et al.
Computational and Structural Biotechnology Journal
|
June 10, 2021
Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification
Peerapon Deetanya, Kowit Hengphasatporn, Patcharin Wilasluck, et al.
Peerj
|
May 1, 2023
In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease
Kanpong Boonthaworn, Kowit Hengphasatporn, Yasuteru Shigeta, et al.
Page
of 8