Masahito Ohue
Orcid: 0000-0002-0120-1643
According to our database1,
Masahito Ohue
authored at least 31 papers
between 2012 and 2023.
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Bibliography
2023
J. Chem. Inf. Model., April, 2023
Faster Lead Optimization Mapper Algorithm for Large-Scale Relative Free Energy Perturbation.
CoRR, 2023
Enhancing Model Learning and Interpretation using Multiple Molecular Graph Representations for Compound Property and Activity Prediction.
Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2023
2022
Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2022
Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning.
Bioinform., 2022
Compound Virtual Screening by Learning-to-Rank with Gradient Boosting Decision Tree and Enrichment-based Cumulative Gain.
Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2022
2021
Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2021
MEGADOCK-GUI: a GUI-based complete cross-docking tool for exploring protein-protein interactions.
CoRR, 2021
Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2021
Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2021
2020
Development of Computational Pipeline Software for Genome/Exome Analysis on the K Computer.
Supercomput. Front. Innov., 2020
Multiple HPC Environments-Aware Container Image Configuration Workflow for Large-Scale All-to-All Protein-Protein Docking Calculations.
Proceedings of the Supercomputing Frontiers - 6th Asian Conference, 2020
2019
Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph.
CoRR, 2019
Proceedings of the 18th International Conference on Mobile and Ubiquitous Multimedia, 2019
Parallelized Pipeline for Whole Genome Shotgun Metagenomics with GHOSTZ-GPU and MEGAN.
Proceedings of the 19th IEEE International Conference on Bioinformatics and Bioengineering, 2019
2018
Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm.
Comput. Biol. Chem., 2018
Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem.
Comput. Biol. Chem., 2018
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques.
BMC Bioinform., 2018
MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.
BMC Bioinform., 2018
PKRank: a novel learning-to-rank method for ligand-based virtual screening using pairwise kernel and RankSVM.
Artif. Life Robotics, 2018
2017
Bioinform., 2017
Link Mining for Kernel-Based Compound-Protein Interaction Predictions Using a Chemogenomics Approach.
Proceedings of the Intelligent Computing Theories and Application, 2017
Efficient hyperparameter optimization by using Bayesian optimization for drug-target interaction prediction.
Proceedings of the 7th IEEE International Conference on Computational Advances in Bio and Medical Sciences, 2017
2015
Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures.
BMC Syst. Biol., 2015
2014
MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers.
Bioinform., 2014
2013
MEGADOCK 3.0: a high-performance protein-protein interaction prediction software using hybrid parallel computing for petascale supercomputing environments.
Source Code Biol. Medicine, 2013
The MEGADOCK project: Ultra-high-speed protein-protein interaction prediction tools on supercomputing environments.
Proceedings of the ACM Conference on Bioinformatics, 2013
Proceedings of the ACM Conference on Bioinformatics, 2013
Improvement of Protein-Protein Interaction Prediction by Integrating Template-Based and Template-Free Protein Docking.
Proceedings of the ACM Conference on Bioinformatics, 2013
2012
Improvement of the Protein-Protein Docking Prediction by Introducing a Simple Hydrophobic Interaction Model: An Application to Interaction Pathway Analysis.
Proceedings of the Pattern Recognition in Bioinformatics, 2012