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Protein Science : a Publication of the Protein Society
|
July 9, 2026
Protein Data Bank Japan: A unified portal for integrating structural and chemical data to explore protein-ligand interactions in PDB and PubChem
Gert-Jan Bekker, Chioko Nagao, Satomi Niwa, et al.
Journal of Chemical Theory and Computation
|
October 22, 2025
Assessment of RNA Force Fields for Dynamic Docking of Small Molecules Using Multicanonical MD Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Scientific Reports
|
January 31, 2020
Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
The Journal of Physical Chemistry. B
|
February 28, 2019
Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations
Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima, et al.
Journal of Chemical Information and Modeling
|
May 16, 2024
Binding Mechanism between Platelet Glycoprotein and Cyclic Peptide Elucidated by McMD-Based Dynamic Docking
Gert-Jan Bekker, Kanji Oshima, Mitsugu Araki, et al.
Biophysics and Physicobiology
|
February 12, 2024
Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics
Junichi Higo, Gert-Jan Bekker, Narutoshi Kamiya, et al.
Computational and Structural Biotechnology Journal
|
June 1, 2026
Stability-Driven Pose Prediction and Ligand Design via Contact Persistence Analysis from Molecular Dynamics Simulations
Mochammad Arfin Fardiansyah Nasution, Gert-Jan Bekker, Suyong Re, et al.
Methods in Enzymology
|
February 13, 2021
Cutinases from thermophilic bacteria (actinomycetes): From identification to functional and structural characterization
Masayuki Oda, Nobutaka Numoto, Gert-Jan Bekker, et al.
Scientific Reports
|
March 4, 2021
Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
Journal of Computational Chemistry
|
April 9, 2020
Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking
Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima, et al.
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of 5
Search research articles
Search
Showing results (11-20 of 41) with videos related to
Sort By:
Page
of 5
Protein Science : a Publication of the Protein Society
|
July 9, 2026
Protein Data Bank Japan: A unified portal for integrating structural and chemical data to explore protein-ligand interactions in PDB and PubChem
Gert-Jan Bekker, Chioko Nagao, Satomi Niwa, et al.
Journal of Chemical Theory and Computation
|
October 22, 2025
Assessment of RNA Force Fields for Dynamic Docking of Small Molecules Using Multicanonical MD Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Scientific Reports
|
January 31, 2020
Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
The Journal of Physical Chemistry. B
|
February 28, 2019
Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations
Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima, et al.
Journal of Chemical Information and Modeling
|
May 16, 2024
Binding Mechanism between Platelet Glycoprotein and Cyclic Peptide Elucidated by McMD-Based Dynamic Docking
Gert-Jan Bekker, Kanji Oshima, Mitsugu Araki, et al.
Biophysics and Physicobiology
|
February 12, 2024
Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics
Junichi Higo, Gert-Jan Bekker, Narutoshi Kamiya, et al.
Computational and Structural Biotechnology Journal
|
June 1, 2026
Stability-Driven Pose Prediction and Ligand Design via Contact Persistence Analysis from Molecular Dynamics Simulations
Mochammad Arfin Fardiansyah Nasution, Gert-Jan Bekker, Suyong Re, et al.
Methods in Enzymology
|
February 13, 2021
Cutinases from thermophilic bacteria (actinomycetes): From identification to functional and structural characterization
Masayuki Oda, Nobutaka Numoto, Gert-Jan Bekker, et al.
Scientific Reports
|
March 4, 2021
Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
Journal of Computational Chemistry
|
April 9, 2020
Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking
Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima, et al.
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of 5