"Akio Kitao","Roles of hydration/dehydration for dissociation, association and stabilization of protein complexes","Pacific Basin Societies 2021",,,,,,2021,Dec.
"Hiroaki Hata,Duy Phuoc Tran,Marzouk,Akio Kitao","Binding free energy of protein/ligand complexes calculated using dissociation Parallel Cascade Selection Molecular Dynamics and Markov state model",,"Biophysics and Physicobiology",,,,,2021,Dec.
"Steven Hayward,Akio Kitao","The role of the half-turn in determining structures of Alzheimerfs Aƒΐ wild-type and mutants",,"Journal of Structural Biology",,"Vol. 213","No. 4","pp. 107792",2021,Dec.
"Akio Kitao","Transport mechanisms of ions, peptides and proteins through the biological membrane","Pacific Basin Societies 2021",,,,,,2021,Dec.
"Duy Phuoc Tran,Akio Kitao","Calculation of Binding Free Energy and Kinetic Rates with Flexible Protein Docking",,"Seibutsu Butsuri",,"Vol. 61","No. 6","pp. 398-399",2021,Nov.
"Ryunosuke Kiuchi,Kazuhiro Takemura,Akio Kitao","Application of ColDock to docking of cryptic pockets","59th Annual Meeting of Biophysical Society of Japan",,,,,,2021,Nov.
"Kazuhiro Takemura,Akio Kitao","Unguided Binding MD of Protein-Protein Complexes by PPI-ColDock","59th Annual Meeting of Biophysical Society of Japan",,,,,,2021,Nov.
"Duy Tran,Akio Kitao","DNA bending enhances the dissociation of tetrameric p53fs coredomains","59th Annual Meeting of Biophysical Society of Japan",,,,,,2021,Nov.
"Akio Kitao","Molecular movie of protein association/dissociation dynamics","59th Annual Meeting of Biophysical Society of Japan",,,,,,2021,Nov.
"Akio Kitao","PaCS-MD/MSM to investigate protein motions and association/dissociation of protein complexes","Symposium on Computer Simulations and Cryo-ET/EM of Complex Biomolecular Systems",,,,,,2021,Nov.
"Duy Phuoc Tran,Akio Kitao","Binding free energy calculation with dPaCS-MD/MSM","C2C Program Kick off symposium",,,,,,2021,Oct.
"Duy Phuoc Tran,Akio Kitao","Atomic mechanism of the complete association of intrinsically disordered peptide to protein","XXXII IUPAP Conference on Computational Physics(CCP2021)",,,,,,2021,Aug.
"Duy Tran,Akio Kitao","Predicting the complex conformations of protein/intrinsically disordered peptide complexes","The Protein Society-35th Anniversary Symposium",,,,,,2021,July
"Akio Kitao","Simulated dissociation/association dynamics between proteins and other molecules","Telluride Science Research Center Workshop on Protein Dynamics",,,,,,2021,July
"–k”φ²˜N","ƒCƒ“ƒVƒŠƒRƒVƒ~ƒ…ƒŒ[ƒVƒ‡ƒ“‚Ε’T‚ιƒ^ƒ“ƒpƒNŽΏ•‘‡‘Μ‚ΜŒ‹‡e˜a«‚ΖƒLƒlƒeƒBƒbƒNƒX","\‘’Šˆ«ƒtƒH[ƒ‰ƒ€2021uŽŸŠϊƒX[ƒp[ƒRƒ“ƒsƒ…[ƒ^u•xŠxvŽž‘γ‚ΜŒvŽZ‘n–ςv",,,,,,2021,June
"ƒ`ƒƒƒ“ ƒt ƒYƒC,”¨ G–Ύ,’†–ξ Œυ,–k”φ²˜N","Benchmarking the free energy calculation of PaCS-MD/MSM","‘ζ21‰ρ“ϊ–{’`”’ŽΏ‰ΘŠw‰ο”N‰ο",,,,,,2021,June
"’|‘Ί ˜a_,–k”φ ²˜N","PPI-ColDock –@‚π—p‚’‚½’`”’ŽΏ] ’`”’ŽΏ•‘‡‘ΜŒ`¬","‘ζ21‰ρ“ϊ–{’`”’ŽΏ‰ΘŠw‰ο”N‰ο",,,,,,2021,June
"Marzouk,Akio Kitao","Investigating the dissociation process and kinetic rates of DBD-p53/DNA complex by PaCS-MD and MSM","‘ζ21‰ρ“ϊ–{’`”’ŽΏ‰ΘŠw‰ο”N‰ο",,,,,,2021,June
"Wijaya Tegar N.,–k”φ²˜N","Dynamics of Close-Open State of CALB Obtained by Parallel Cascade Molecular Dynamics Simulation and The 2.Wijaya Tegar N.A–k”φ²˜NuDynamics of Close-Open State of CALB Obtained by Parallel Cascade Molecular Dynamics Simulation and The Markov State Model","‘ζ21‰ρ“ϊ–{’`”’ŽΏ‰ΘŠw‰ο”N‰ο",,,,,,2021,June
"‹{ΰV ‰ΐŠσ,Tran Phuoc Duy,’|‘Ί ˜a_,–k”φ ²˜N","Parallel Cascade Selection Molecular Dynamics/Markov State Model ‚Ι‚ζ‚ιƒ^ƒ“ƒpƒNŽΏ?ƒ^ƒ“ƒpƒNŽΏ•‘‡‘Μ‚ΜŒ‹‡e˜a«•]‰Ώ (Evaluation of binding affinity for protein-protein complexes by Parallel Cascade Selection Molecular Dynamics/Markov State Model","‘ζ21‰ρ“ϊ–{’`”’ŽΏ‰ΘŠw‰ο”N‰ο",,,,,,2021,June
"Takeo Yamawaki,Misao Mizuno,Haruto Ishikawa,Kazuhiro Takemura,Akio Kitao,Yoshitsugu Shiro,Yasuhisa Mizutani","Regulatory Switching by Concerted Motions on the Microsecond Time Scale of the Oxygen Sensor Protein FixL",,"The Journal of Physical Chemistry B",,"Vol. 125","No. 25","pp. 6847-6856",2021,June
"Duy Phuoc Tran,Akio Kitao","Using molecular dynamics simulations to prioritize and understand AI-generated cell penetrating peptides",,"Scientific Reports",,"Vol. 11","No. 1",,2021,May
"–k”φ²˜N","SARS-CoV-2 ƒGƒ“ƒhƒŠƒ{ƒkƒNƒŒƒA[ƒ[‚ΜƒIƒŠƒSƒ}[‰»‘jŠQ",,,,,,,2021,Apr.
"Mariko Kojima,Yuki Hishikawa,Satoshi Abe,Tadaomi Furuta,Duy Phuoc Tran,Akio Kitao,Takafumi Ueno","Energy Analysis of Miniprotein by in Vivo Protein Crystallization","“ϊ–{‰»Šw‰ο‘ζ101t‹G”N‰ο",,,,,,2021,Mar.
"Akio Kitao","Delineating the conformational landscape of the adenosine A<sub>2A</sub> receptor during G protein coupling.",,"Cell",,,,,2021,Mar.
"Tegar Nurwahyu Wijaya,Akio Kitao","Dynamics of Close-Open State of Candida antarctica Lipase B Obtained by Parallel Cascade Molecular Dynamics Simulation and The Markov State Model","‘ζ10‰ρ“ϊ–{Ά•¨•¨—Šw‰οŠΦ“ŒŽx•”‰ο",,,,,,2021,Mar.
"–k”φ ²˜N","“Œ‹žH‹Ζ‘εŠwΆ–½—HŠw‰@ –k”φŒ€‹†ŽΊ",,"ƒAƒ“ƒTƒ“ƒuƒ‹","•ͺŽqƒVƒ~ƒ…ƒŒ[ƒVƒ‡ƒ“Šw‰ο","Vol. 23","No. 1","pp. 67-71",2021,Jan.