@article{CTT100874622, author = {Hiroaki Hata and Duy Phuoc Tran and Marzouk and Akio Kitao}, title = {Binding free energy of protein/ligand complexes calculated using dissociation Parallel Cascade Selection Molecular Dynamics and Markov state model}, journal = {Biophysics and Physicobiology}, year = 2021, } @article{CTT100851847, author = {Duy Phuoc Tran and Akio Kitao}, title = {Using molecular dynamics simulations to prioritize and understand AI-generated cell penetrating peptides}, journal = {Scientific Reports}, year = 2021, } @inproceedings{CTT100874811, author = {Duy Tran and Akio Kitao}, title = {DNA bending enhances the dissociation of tetrameric p53’s coredomains}, booktitle = {}, year = 2021, } @inproceedings{CTT100874820, author = {Duy Phuoc Tran and Akio Kitao}, title = {Binding free energy calculation with dPaCS-MD/MSM}, booktitle = {}, year = 2021, } @inproceedings{CTT100874807, author = {Duy Phuoc Tran and Akio Kitao}, title = {Atomic mechanism of the complete association of intrinsically disordered peptide to protein}, booktitle = {}, year = 2021, } @inproceedings{CTT100874819, author = {Duy Tran and Akio Kitao}, title = {Predicting the complex conformations of protein/intrinsically disordered peptide complexes}, booktitle = {}, year = 2021, } @inproceedings{CTT100874813, author = {宮澤 佳希 and Tran Phuoc Duy and 竹村 和浩 and 北尾 彰朗}, title = {Parallel Cascade Selection Molecular Dynamics/Markov State Model によるタンパク質-タンパク質複合体の結合親和性評価 (Evaluation of binding affinity for protein-protein complexes by Parallel Cascade Selection Molecular Dynamics/Markov State Model}, booktitle = {}, year = 2021, } @inproceedings{CTT100874818, author = {チャン フ ズイ and 畑 宏明 and 中矢 光 and 北尾彰朗}, title = {Benchmarking the free energy calculation of PaCS-MD/MSM}, booktitle = {}, year = 2021, } @inproceedings{CTT100847106, author = {Mariko Kojima and Yuki Hishikawa and Satoshi Abe and Tadaomi Furuta and Duy Phuoc Tran and Akio Kitao and Takafumi Ueno}, title = {Energy Analysis of Miniprotein by in Vivo Protein Crystallization}, booktitle = {}, year = 2021, } @misc{CTT100875329, author = {Duy Phuoc Tran and Akio Kitao}, title = {Calculation of Binding Free Energy and Kinetic Rates with Flexible Protein Docking}, year = 2021, }