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Methods in Molecular Biology (Clifton, N.J.)|November 8, 2022
Thermal Stability Estimation of Single Domain Antibodies Using Molecular Dynamics SimulationsGert-Jan Bekker, Narutoshi Kamiya
Biophysical Reviews|January 20, 2023
Advancing the field of computational drug design using multicanonical molecular dynamics-based dynamic dockingGert-Jan Bekker, Narutoshi Kamiya
The Journal of Physical Chemistry. B|December 3, 2021
N-Terminal-Driven Binding Mechanism of an Antigen Peptide to Human Leukocyte Antigen-A*2402 Elucidated by Multicanonical Molecular Dynamic-Based Dynamic Docking and Path Sampling SimulationsGert-Jan Bekker, Narutoshi Kamiya
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Dynamic Docking Using Multicanonical Molecular Dynamics: Simulating Complex Formation at the Atomistic LevelGert-Jan Bekker, Narutoshi Kamiya
Protein Science : a Publication of the Protein Society|November 6, 2018
Thermal stability of single-domain antibodies estimated by molecular dynamics simulationsGert-Jan Bekker, Benson Ma, Narutoshi Kamiya
Journal of Chemical Theory and Computation|July 27, 2026
Comparative Assessment of DNA Force Fields for Small-Molecule Ligand Binding via Multicanonical MD-Based Dynamic Docking SimulationsGert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
ACS Omega|January 29, 2024
Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking SimulationsGert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Scientific Reports|January 31, 2020
Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulationsGert-Jan Bekker, Ikuo Fukuda, Junichi Higo, 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 SimulationsGert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Methods in Enzymology|February 13, 2021
Cutinases from thermophilic bacteria (actinomycetes): From identification to functional and structural characterizationMasayuki Oda, Nobutaka Numoto, Gert-Jan Bekker, et al.
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