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Keisuke Yanagisawa
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2020 – today
- 2024
- [j12]Keisuke Yanagisawa
, Takuya Fujie
QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking. Entropy 26(5): 397 (2024) - 2023
- [j11]Jianan Li
CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides. J. Chem. Inf. Model. 63(7): 2240-2250 (2023) - [j10]Genki Kudo
AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics. J. Chem. Inf. Model. 63(24): 7768-7777 (2023) - 2022
- [j9]Jianan Li
Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning. Bioinform. 38(4): 1110-1117 (2022) - [j8]Kazuki Takabatake
Solving Generalized Polyomino Puzzles Using the Ising Model. Entropy 24(3): 354 (2022) - [j7]Masatake Sugita
Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations. J. Chem. Inf. Model. 62(18): 4549-4560 (2022) - 2021
- [j6]Keisuke Yanagisawa
EXPRORER: Rational Cosolvent Set Construction Method for Cosolvent Molecular Dynamics Using Large-Scale Computation. J. Chem. Inf. Model. 61(6): 2744-2753 (2021) - [j5]Masatake Sugita
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): 3681-3695 (2021)
2010 – 2019
- 2019
- [i1]Masahito Ohue, Ryota Ii, Keisuke Yanagisawa
Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph. CoRR abs/1907.01103 (2019) - 2018
- [j4]Takanori Hayashi, Yuri Matsuzaki, Keisuke Yanagisawa
MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions. BMC Bioinform. 19-S(4): 61-72 (2018) - [j3]Takashi Tajimi, Naoki Wakui, Keisuke Yanagisawa
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques. BMC Bioinform. 19-S(19): 157-170 (2018) - [j2]Keisuke Yanagisawa
Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm. Comput. Biol. Chem. 74: 399-406 (2018) - 2017
- [j1]Keisuke Yanagisawa
Spresso: an ultrafast compound pre-screening method based on compound decomposition. Bioinform. 33(23): 3836-3843 (2017)
Coauthor Index
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