2022 - 2023 How viral protein interfere the interactions of p53 protein with DNA
2019 - 2021 Atomistic mechanism of the oligomerization of p53 protein in DNA scanning
2014 - 2017 Association and dissociation simulations of bio-molecular complex using parallel cascade selection molecular dynamics
2013 - 2015 Study of structural and phase transition in free surface and confined geometry system using computer simulation
2012 - 2013 Molecular basis of odorant ligands recognition: a computational study
2009 - 2011 In silico study of structural and phase transition of the glassy nanoparticles
In silico study of phase transition mechanism of monatomic system
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論文 (28件):
Louis-Philippe Picard, Alexander Orazietti, Duy Phuoc Tran, Andrejs Tucs, Sari Hagimoto, Zhenzhou Qi, Shuya Kate Huang, Koji Tsuda, Akio Kitao, Adnan Sljoka, et al. Balancing G protein selectivity and efficacy in the adenosine A2A receptor. Nature chemical biology. 2024
Shinji Ikizawa, Tatsuki Hori, Tegar Nurwahyu Wijaya, Hiroshi Kono, Zhen Bai, Tatsuhiro Kimizono, Wenbo Lu, Duy Phuoc Tran, Akio Kitao. PaCS-Toolkit: Optimized Software Utilities for Parallel Cascade Selection Molecular Dynamics (PaCS-MD) Simulations and Subsequent Analyses. Journal of Physical Chemistry B. 2024. 128. 15. 3631-3642
Mariko Kojima, Satoshi Abe, Tadaomi Furuta, Duy Phuoc Tran, Kunio Hirata, Keitaro Yamashita, Yuki Hishikawa, Akio Kitao, Takafumi Ueno. Engineering of an in-cell protein crystal for fastening a metastable conformation of a target miniprotein. Biomaterials Science. 2023. 11. 4. 1350-1357
Tatsuro Nishikino, Norihiro Takekawa, Duy Phuoc Tran, Jun-ichi Kishikawa, Mika Hirose, Sakura Onoe, Seiji Kojima, Michio Homma, Akio Kitao, Takayuki Kato, et al. Structure of MotA, a flagellar stator protein, from hyperthermophile. Biochemical and Biophysical Research Communications. 2022. 631. 78-85
Duy Phuoc Tran, Yuta Taira, Takumi Ogawa, Ryoga Misu, Yoshiki Miyazawa, Akio Kitao. Inhibition of the hexamerization of SARS-CoV-2 endoribonuclease and modeling of RNA structures bound to the hexamer. Scientific Reports. 2022. 12. 1. 3860-3860
DNA bending enhances the dissociation of tetrameric p53's core domains
(The 59th Annual Meeting of the Biophysical Society of Japan 2021)
Atomic mechanism of the complete association of intrinsically disordered peptide to protein
(The 33rd IUPAP Annual Conference on Computational Physics 2021)
Predicting the complex conformations of Protein/Peptide using a/dPaCS-MD
(2021)
When computer simulations meet machine learning: unveiling the dynamics of biomolecular complexes
(the 9th Tokyo Tech International Symposium on Life Science and Technology: Visualization and Engineering of Biomolecules 2021)
Biomolecular Functional Design: an Introduction to Recent Advances
(the Annual Meeting of the Biophysical Society of Japan 2020)