List of works - Yasushi Okuno

A Platform for Comprehensive Genomic Profiling in Human Cancers and Pharmacogenomics Therapy Selection

scientific article published on 01 January 2018

A secondary RET mutation in the activation loop conferring resistance to vandetanib.

scientific article published on 12 February 2018

Accurate Prediction of Complex Structure and Affinity for a Flexible Protein Receptor and Its Inhibitor

scientific article published on 8 May 2017

An in silico Approach for Integrating Phenotypic and Target-based Approaches in Drug Discovery

scientific article published on 22 October 2019

Association between homologous recombination repair gene mutations and response to oxaliplatin in pancreatic cancer.

scientific article

CGBVS-DNN: Prediction of Compound-protein Interactions Based on Deep Learning

scientific article

Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs

scientific article published on 12 November 2019

Clinical sequencing using a next-generation sequencing-based multiplex gene assay in patients with advanced solid tumors.

scientific article

Coarse-grained diffraction template matching model to retrieve multi-conformational models for biomolecule structures from noisy diffraction patterns

scientific article published on 29 May 2020

Constructing a Foundational Platform Driven by Japan's K Supercomputer for Next-Generation Drug Design

scientific article published on 17 July 2014

Core Binding Site of a Thioflavin-T-Derived Imaging Probe on Amyloid β Fibrils Predicted by Computational Methods

scientific article published on 30 January 2018

Drug Development Value Chain Constructed by Collaboration Between The SOSHO Project and The NPO BIOGRID

article

Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations

scientific article published on 12 March 2019

Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking

scientific article published on 08 April 2020

Exome Sequencing Landscape Analysis in Ovarian Clear Cell Carcinoma Shed Light on Key Chromosomal Regions and Mutation Gene Networks.

scientific article published on 5 September 2017

Exploring Successful Parameter Region for Coarse-Grained Simulation of Biomolecules by Bayesian Optimization and Active Learning

scientific article published on 21 March 2020

Fibronectin type III domain-containing protein 5 interacts with APP and decreases amyloid β production in Alzheimer's disease

article

Force-field parametrization based on radial and energy distribution functions

scientific article published on 25 July 2019

High-precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning

scientific article published on 04 June 2020

Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach

scientific article published on 26 March 2020

Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method

scientific article published on 07 February 2020

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

scientific article published on 01 December 2018

In silico drug discovery by supercomputer "K".

scientific article published in January 2017

Landscape and function of multiple mutations within individual oncogenes

scientific article published on 08 April 2020

MGeND: an integrated database for Japanese clinical and genomic information

scientific article published on 06 December 2019

Machine Learning Accelerates MD-based Binding-Pose Prediction between Ligands and Proteins

scientific article published on 11 October 2017

Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare mutations

scientific article published on 01 May 2019

New progress in crystallization technology of membrane protein and introduction of pharamaceutical innovation value chain

scientific article

Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks

scientific article published on 09 December 2019

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

Stabilization Mechanism for a Nonfibrillar Amyloid β Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics

scientific article published on 15 January 2020

Structural modification of indomethacin toward selective inhibition of COX-2 with a significant increase in van der Waals contributions

scientific article published on 14 March 2019

kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

scholarly article published 19 February 2020

List of works by Yasushi Okuno

A Platform for Comprehensive Genomic Profiling in Human Cancers and Pharmacogenomics Therapy Selection

A secondary RET mutation in the activation loop conferring resistance to vandetanib.

Accurate Prediction of Complex Structure and Affinity for a Flexible Protein Receptor and Its Inhibitor

An in silico Approach for Integrating Phenotypic and Target-based Approaches in Drug Discovery

Association between homologous recombination repair gene mutations and response to oxaliplatin in pancreatic cancer.

CGBVS-DNN: Prediction of Compound-protein Interactions Based on Deep Learning

Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs

Clinical sequencing using a next-generation sequencing-based multiplex gene assay in patients with advanced solid tumors.

Coarse-grained diffraction template matching model to retrieve multi-conformational models for biomolecule structures from noisy diffraction patterns

Constructing a Foundational Platform Driven by Japan's K Supercomputer for Next-Generation Drug Design

Core Binding Site of a Thioflavin-T-Derived Imaging Probe on Amyloid β Fibrils Predicted by Computational Methods

Drug Development Value Chain Constructed by Collaboration Between The SOSHO Project and The NPO BIOGRID

Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations

Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking

Exome Sequencing Landscape Analysis in Ovarian Clear Cell Carcinoma Shed Light on Key Chromosomal Regions and Mutation Gene Networks.

Exploring Successful Parameter Region for Coarse-Grained Simulation of Biomolecules by Bayesian Optimization and Active Learning

Fibronectin type III domain-containing protein 5 interacts with APP and decreases amyloid β production in Alzheimer's disease

Force-field parametrization based on radial and energy distribution functions

High-precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning

Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach

Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

In silico drug discovery by supercomputer "K".

Landscape and function of multiple mutations within individual oncogenes

MGeND: an integrated database for Japanese clinical and genomic information

Machine Learning Accelerates MD-based Binding-Pose Prediction between Ligands and Proteins

Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare mutations

New progress in crystallization technology of membrane protein and introduction of pharamaceutical innovation value chain

Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

Stabilization Mechanism for a Nonfibrillar Amyloid β Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics

Structural modification of indomethacin toward selective inhibition of COX-2 with a significant increase in van der Waals contributions

kGCN: A Graph-Based Deep Learning Framework for Chemical Structures