@article{CTT100810106, author = {Kei Terayama and Ai Shinobu and Koji Tsuda and Kazuhiro Takemura and Akio Kitao}, title = {evERdock BAI: Machine-learning-guided selection of protein-protein complex structure}, journal = {The Journal of Chemical Physics}, year = 2019, } @article{CTT100809959, author = {Kyoko Hanawa-Suetsugu and Yuzuru Itoh and Maisarah Ab Fatah and Tamako Nishimura and Kazuhiro Takemura and Kohei Takeshita and Satoru Kubota and Naoyuki Miyazaki and Wan Nurul Izzati Wan Mohamad Noor and Takehiko Inaba and Nhung Thi Hong Nguyen and Sayaka Hamada-Nakahara and Kayoko Oono-Yakura and Masashi Tachikawa and Kenji Iwasaki and Daisuke Kohda and Masaki Yamamoto and Akio Kitao and Atsushi Shimada and Shiro Suetsugu}, title = {Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7}, journal = {Nature Communications}, year = 2019, } @article{CTT100810107, author = {Justin Chan and Hong-Rui Lin and Kazuhiro Takemura and Kai-Chun Chang and Yuan-Yu Chang and Yasumasa Joti and Akio Kitao and Lee-Wei Yang}, title = {An Efficient Timer and Sizer of Biomacromolecular Motions}, journal = {Structure}, year = 2019, } @article{CTT100809960, author = {Yasumasa Joti and Akio Kitao}, title = {Cancellation between auto- and mutual correlation contributions of protein/water dynamics in terahertz time-domain spectra}, journal = {Biophysics and Physicobiology}, year = 2019, } @article{CTT100809961, author = {Kazuhiro Takemura and Akio Kitao}, title = {More efficient screening of protein-protein complex model structures for reducing the number of candidates}, journal = {Biophysics and Physicobiology}, year = 2019, } @article{CTT100809969, author = {Yuichi Yokochi and Kazunori Sugiura and Kazuhiro Takemura and Keisuke Yoshida and Satoshi Hara and Ken-ichi Wakabayashi and Akio Kitao and Toru Hisabori}, title = {Impact of key residues within chloroplast thioredoxin-f on recognition for reduction and oxidation of target proteins}, journal = {Journal of Biological Chemistry}, year = 2019, } @article{CTT100809964, author = {Yasuhiro Onoue and Masayo Iwaki and Ai Shinobu and Yasutaka Nishihara and Hiroto Iwatsuki and Hiroyuki Terashima and Akio Kitao and Hideki Kandori and Michio Homma}, title = {Essential ion binding residues for Na+ flow in stator complex of the Vibrio flagellar motor}, journal = {Scientific Reports}, year = 2019, } @article{CTT100809963, author = {Kento Shin and Duy Phuoc Tran and Kazuhiro Takemura and Akio Kitao and Kei Terayama and Koji Tsuda}, title = {Enhancing Biomolecular Sampling with Reinforcement Learning: A Tree Search Molecular Dynamics Simulation Method}, journal = {ACS Omega}, year = 2019, } @article{CTT100809965, author = {Hiroaki Hata and Masayoshi Nishiyama and Akio Kitao}, title = {Molecular dynamics simulation of proteins under high pressure: Structure, function and thermodynamics}, journal = {Biochimica et Biophysica Acta (BBA) - General Subjects}, year = 2019, } @article{CTT100809968, author = {Hiroshi Nakagawa and Yasumasa Joti and Akio Kitao and Osamu Yamamuro and Mikio Kataoka}, title = {Universality and Structural Implications of the Boson Peak in Proteins}, journal = {Biophysical Journal}, year = 2019, } @article{CTT100809966, author = {Nick Matthews and Akio Kitao and Stephen Laycock and Steven Hayward}, title = {Haptic-Assisted Interactive Molecular Docking Incorporating Receptor Flexibility}, journal = {Journal of Chemical Information and Modeling}, year = 2019, } @article{CTT100809967, author = {Yumi Inoue and Yuya Ogawa and Miki Kinoshita and Naoya Terahara and Masafumi Shimada and Noriyuki Kodera and Toshio Ando and Keiichi Namba and Akio Kitao and Katsumi Imada and Tohru Minamino}, title = {Structural Insights into the Substrate Specificity Switch Mechanism of the Type III Protein Export Apparatus}, journal = {Structure}, year = 2019, } @article{CTT100784975, author = {Steven Hayward and Akio Kitao}, title = {Multi-strand β-sheet of Alzheimer Aβ(1–40) folds to β-strip helix: implication for protofilament formation}, journal = {Journal of Biomolecular Structure and Dynamics}, year = 2019, } @article{CTT100809997, author = {Duy Phuoc Tran and Akio Kitao}, title = {Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model}, journal = {The Journal of Physical Chemistry B}, year = 2019, }