Nobuaki Yasuo

9PUBLICATIONS
7CO-AUTHORS
Process control and simulationBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsDeep learning
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Publications (9)

|Apr 25, 2026
A Transformer for Reaction-Aware Compound Explorations with GFlowNet in QSAR-Guided Molecular Design.

|Dec 19, 2024
DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance.

Masami Sako, Nobuaki Yasuo, Masakazu Sekijima

|Sep 25, 2024
Mothra: Multiobjective de novo Molecular Generation Using Monte Carlo Tree Search.

Takamasa Suzuki, Dian Ma, Nobuaki Yasuo

|Sep 10, 2024
IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors.

Mami Ozawa, Shogo Nakamura, Nobuaki Yasuo

|Oct 16, 2023
Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning.

Daiki Erikawa, Nobuaki Yasuo, Takamasa Suzuki

|Jul 31, 2023
Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro, and X-ray Crystallography.

Ryunosuke Yoshino, Nobuaki Yasuo, Yohsuke Hagiwara

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Frequent Collaborators

9 joint publications

Masakazu Sekijima

3 joint publications

Shogo Nakamura

2 joint publications

Takamasa Suzuki

1 joint publications

Kazuki Z Yamamoto