Genki Kudo, Keisuke Yanagisawa, Ryunosuke Yoshino, Takatsugu Hirokawa. AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics. Journal of chemical information and modeling. 2023. 63. 24. 7768-7777
Jianan Li, Keisuke Yanagisawa, Masatake Sugita, Takuya Fujie, Masahito Ohue, Yutaka Akiyama. CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides. Journal of chemical information and modeling. 2023. 63. 7. 2240-2250
Masatake Sugita, Takuya Fujie, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations. Journal of chemical information and modeling. 2022. 62. 18. 4549-4560
Keisuke Yanagisawa, Rikuto Kubota, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama. Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation. ACS omega. 2022. 7. 34. 30265-30274
Keisuke Yanagisawa, Ryunosuke Yoshino, Genki Kudo, Takatsugu Hirokawa. Inverse Mixed-Solvent Molecular Dynamics for Visualization of the Residue Interaction Profile of Molecular Probes. International journal of molecular sciences. 2022. 23. 9