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The MEGADOCK project: Ultra-high-speed protein-protein interaction prediction tools on supercomputing environments.

, , , , , , and . BCB, page 667. ACM, (2013)

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Enhancing Model Learning and Interpretation using Multiple Molecular Graph Representations for Compound Property and Activity Prediction., and . CIBCB, page 1-8. IEEE, (2023)Improvement of Protein-Protein Interaction Prediction by Integrating Template-Based and Template-Free Protein Docking., , , , and . BCB, page 666. ACM, (2013)Drug-target affinity prediction using applicability domain based on data density., and . CIBCB, page 1-6. IEEE, (2021)MEGADOCK-GPU: Acceleration of Protein-Protein Docking Calculation on GPUs., , , , and . BCB, page 883. ACM, (2013)Efficient hyperparameter optimization by using Bayesian optimization for drug-target interaction prediction., , and . ICCABS, page 1-6. IEEE Computer Society, (2017)MEGADOCK-GUI: a GUI-based complete cross-docking tool for exploring protein-protein interactions., and . CoRR, (2021)Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm., , , , and . Comput. Biol. Chem., (2018)Improvement of the Protein-Protein Docking Prediction by Introducing a Simple Hydrophobic Interaction Model: An Application to Interaction Pathway Analysis., , , and . PRIB, volume 7632 of Lecture Notes in Computer Science, page 178-187. Springer, (2012)Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures., , , , and . BMC Syst. Biol., 9 (S-1): S6 (2015)Multiple HPC Environments-Aware Container Image Configuration Workflow for Large-Scale All-to-All Protein-Protein Docking Calculations., , , and . SCFA, volume 12082 of Lecture Notes in Computer Science, page 23-39. Springer, (2020)