Keisuke Yanagisawa

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 13

Top Topics

Protein Interaction

Physicochemical Properties

Molecular Dynamics

Minimum Cost Flow

Top Venues

J. Chem. Inf. Model.

Publications

Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama
QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking. Entropy 26 (5) (2024)
Jianan Li, Keisuke Yanagisawa, Masatake Sugita, Takuya Fujie, Masahito Ohue, Yutaka Akiyama
CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides. J. Chem. Inf. Model. 63 (7) (2023)
Genki Kudo, Keisuke Yanagisawa, Ryunosuke Yoshino, Takatsugu Hirokawa
AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics. J. Chem. Inf. Model. 63 (24) (2023)
Jianan Li, Keisuke Yanagisawa, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama
Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning. Bioinform. 38 (4) (2022)
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. J. Chem. Inf. Model. 62 (18) (2022)
Kazuki Takabatake, Keisuke Yanagisawa, Yutaka Akiyama
Solving Generalized Polyomino Puzzles Using the Ising Model. Entropy 24 (3) (2022)
Masatake Sugita, Satoshi Sugiyama, Takuya Fujie, Yasushi Yoshikawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations. J. Chem. Inf. Model. 61 (7) (2021)
Keisuke Yanagisawa, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu
EXPRORER: Rational Cosolvent Set Construction Method for Cosolvent Molecular Dynamics Using Large-Scale Computation. J. Chem. Inf. Model. 61 (6) (2021)
Masahito Ohue, Ryota Ii, Keisuke Yanagisawa, Yutaka Akiyama
Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph. CoRR (2019)
Takanori Hayashi, Yuri Matsuzaki, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions. BMC Bioinform. (4) (2018)
Keisuke Yanagisawa, Shunta Komine, Rikuto Kubota, Masahito Ohue, Yutaka Akiyama
Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm. Comput. Biol. Chem. 74 (2018)
Takashi Tajimi, Naoki Wakui, Keisuke Yanagisawa, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques. BMC Bioinform. (19) (2018)
Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama
Spresso: an ultrafast compound pre-screening method based on compound decomposition. Bioinform. 33 (23) (2017)