List of works - Masahito Ohue

A prospective compound screening contest identified broader inhibitors for Sirtuin 1

scientific article published on 20 December 2019

Community-wide assessment of protein-interface modeling suggests improvements to design methodology

scientific article

Effective Protein–Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation

scientific article published in 2022

Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach.

scientific article published on 23 November 2017

GHOSTX: A Fast Sequence Homology Search Tool for Functional Annotation of Metagenomic Data.

scientific article

Highly precise protein-protein interaction prediction based on consensus between template-based and de novo docking methods.

scientific article

Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization

scientific article published on 08 August 2024

Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations

scientific article published in 2022

MEGADOCK 3.0: a high-performance protein-protein interaction prediction software using hybrid parallel computing for petascale supercomputing environments

scientific article published on 03 September 2013

MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers.

scientific article published on 6 August 2014

MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.

scientific article published on 8 May 2018

MEGADOCK: an all-to-all protein-protein interaction prediction system using tertiary structure data

scientific article

Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem

scientific article published on 15 February 2018

Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures

scientific article

Protein-protein interaction network prediction by using rigid-body docking tools: application to bacterial chemotaxis.

scientific article published on January 2014

QEX: target-specific druglikeness filter enhances ligand-based virtual screening

scientific article published on 03 July 2018

Re-Docking Scheme for Generating Near-Native Protein Complexes by Assembling Residue Interaction Fingerprints ⬇️

scientific article published on July 16, 2013

Rigid-Docking Approaches to Explore Protein-Protein Interaction Space.

scientific article published on 10 November 2016

Spresso: An ultrafast compound pre-screening method based on compound decomposition.

scientific article

Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin

scientific article published on 13 November 2020

Synthesis of Triazolo- and Oxadiazolopiperazines by Gold(I)-Catalyzed Domino Cyclization: Application to the Design of a Mitogen Activated Protein (MAP) Kinase Inhibitor

scientific article published on 31 December 2018

The DEAD-box RNA-binding protein DDX6 regulates parental RNA decay for cellular reprogramming to pluripotency

scientific article published in PLoS ONE

List of works by Masahito Ohue

A prospective compound screening contest identified broader inhibitors for Sirtuin 1

Community-wide assessment of protein-interface modeling suggests improvements to design methodology

Effective Protein–Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation

Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach.

GHOSTX: A Fast Sequence Homology Search Tool for Functional Annotation of Metagenomic Data.

Highly precise protein-protein interaction prediction based on consensus between template-based and de novo docking methods.

Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization

Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations

MEGADOCK 3.0: a high-performance protein-protein interaction prediction software using hybrid parallel computing for petascale supercomputing environments

MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers.

MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.

MEGADOCK: an all-to-all protein-protein interaction prediction system using tertiary structure data

Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem

Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures

Protein-protein interaction network prediction by using rigid-body docking tools: application to bacterial chemotaxis.

QEX: target-specific druglikeness filter enhances ligand-based virtual screening

Re-Docking Scheme for Generating Near-Native Protein Complexes by Assembling Residue Interaction Fingerprints ⬇️

Rigid-Docking Approaches to Explore Protein-Protein Interaction Space.

Spresso: An ultrafast compound pre-screening method based on compound decomposition.

Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin

Synthesis of Triazolo- and Oxadiazolopiperazines by Gold(I)-Catalyzed Domino Cyclization: Application to the Design of a Mitogen Activated Protein (MAP) Kinase Inhibitor

The DEAD-box RNA-binding protein DDX6 regulates parental RNA decay for cellular reprogramming to pluripotency