Masakazu Sekijima

Yokohama, 2268501, Japan

Last Updated: 09/26/2026

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Found 48 publications

A Transformer for Reaction-Aware Compound Explorations with GFlowNet in QSAR-Guided Molecular Design.

A Transformer for Reaction-Aware Compound Explorations with GFlowNet in QSAR-Guided Molecular Design.

Journal: Journal of chemical information and modeling
Published: April 25, 2026

PDA-MutPred: Reliable prediction of binding affinity change upon mutation in protein-DNA complexes.

PDA-MutPred: Reliable prediction of binding affinity change upon mutation in protein-DNA complexes.

Journal: International journal of biological macromolecules
Published: March 25, 2026

Interaction-constrained 3D molecular generation using a diffusion model enables structure-based pharmacophore modeling for drug design.

Interaction-constrained 3D molecular generation using a diffusion model enables structure-based pharmacophore modeling for drug design.

Journal: npj drug discovery
Published: September 12, 2025

Comprehensive molecular docking on the AlphaFold-predicted protein structure proteome: identifying target protein candidates for puberulic acid.

Comprehensive molecular docking on the AlphaFold-predicted protein structure proteome: identifying target protein candidates for puberulic acid.

Journal: The Journal of toxicological sciences
Published: July 02, 2025

Protective function of the voltage-gated potassium channel Kv11.3 in a mouse model of cardiac ischemia/reperfusion injury.

Protective function of the voltage-gated potassium channel Kv11.3 in a mouse model of cardiac ischemia/reperfusion injury.

Journal: PloS one
Published: February 27, 2025

PRA-MutPred: Predicting the Effect of Point Mutations in Protein-RNA Complexes Using Structural Features.

PRA-MutPred: Predicting the Effect of Point Mutations in Protein-RNA Complexes Using Structural Features.

Journal: Journal of chemical information and modeling
Published: January 23, 2025

DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance.

DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance.

Journal: Journal of chemical information and modeling
Published: December 19, 2024

Bioinformatics Approaches for Understanding the Binding Affinity of Protein-Nucleic Acid Complexes.

Bioinformatics Approaches for Understanding the Binding Affinity of Protein-Nucleic Acid Complexes.

Journal: Methods in molecular biology (Clifton, N.J.)
Published: November 22, 2024

Mothra: Multiobjective de novo Molecular Generation Using Monte Carlo Tree Search.

Mothra: Multiobjective de novo Molecular Generation Using Monte Carlo Tree Search.

Journal: Journal of chemical information and modeling
Published: September 25, 2024

IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors.

IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors.

Journal: Journal of chemical information and modeling
Published: September 10, 2024

Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning.

Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning.

Journal: Communications chemistry
Published: August 26, 2024

Development of tolerance to bedaquiline by overexpression of trypanosomal acetate: succinate CoA transferase in Mycobacterium smegmatis.

Development of tolerance to bedaquiline by overexpression of trypanosomal acetate: succinate CoA transferase in Mycobacterium smegmatis.

Journal: Communications biology
Published: February 08, 2024
Showing 1-12 of 48

Last Updated: 09/26/2026