Hiroaki Iwata

发表

Comparative analysis of information contents relevant to recognition of introns in many species

O. Gotoh, Hiroaki Iwata, 2011, BMC Genomics.

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

Y. Okuno, K. Masuda, Hiroaki Iwata, 2020, Bioorganic & medicinal chemistry letters.

AIM in Pharmacology and Drug Discovery

Ryosuke Kojima, Hiroaki Iwata, Yasushi Okuno, 2021, Artificial Intelligence in Medicine.

Discovery of Natural TRPA1 Activators through Pharmacophore-based Virtual Screening and a Biological Assay.

Y. Okuno, K. Masuda, Hiroaki Iwata, 2020, Bioorganic & medicinal chemistry letters.

kGCN: a graph-based deep learning framework for chemical structures

R. Kojima, T. Honma, Yasushi Okuno, 2020, Journal of Cheminformatics.

Classification of scanning electron microscope images of pharmaceutical excipients using deep convolutional neural networks with transfer learning

Y. Hayashi, Kei Terayama, Yasushi Okuno, 2022, International journal of pharmaceutics: X.

Title Conservation of structure and function in vertebrate c-FLIPproteins despite rapid evolutionary change

N. Ueno, K. Tomii, C. Takagi, 2019 .

Conservation of structure and function in vertebrate c-FLIP proteins despite rapid evolutionary change

N. Ueno, K. Tomii, C. Takagi, 2015, Biochemistry and biophysics reports.

The apoptotic initiator caspase-8: its functional ubiquity and genetic diversity during animal evolution.

O. Gotoh, K. Tomii, K. Imai, 2014, Molecular biology and evolution.

Benchmarking spliced alignment programs including Spaln2, an extended version of Spaln that incorporates additional species-specific features

Hiroaki Iwata, O. Gotoh, Hiroaki Iwata, 2012, Nucleic acids research.

Prediction of total drug clearance in humans using animal data: proposal of a multimodal learning method based on deep learning.

Maeda Kazuya, Hiroaki Iwata, Takeshi Fujiwara, 2021, Journal of pharmaceutical sciences.

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

Jun Ye, Jinlong Hou, Masatoshi Hamanaka, 2017, Molecular informatics.

Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations

Yasushi Okuno, Mitsugu Araki, Kei Terayama, 2021, J. Chem. Inf. Model..

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

Ryosuke Kojima, Yasushi Okuno, Hiroaki Iwata, 2019, Molecular informatics.

Improving Compound–Protein Interaction Prediction by Self-Training with Augmenting Negative Samples

R. Kojima, Yasushi Okuno, Hiroaki Iwata, 2023, J. Chem. Inf. Model..

Predicting Total Drug Clearance and Volumes of Distribution Using the Machine Learning-Mediated Multimodal Method through the Imputation of Various Nonclinical Data

K. Maeda, Hiroaki Iwata, Takeshi Fujiwara, 2022, J. Chem. Inf. Model..

Hydrophobic interactions at subsite S1′ of human dipeptidyl peptidase IV contribute significantly to the inhibitory effect of tripeptides

Y. Okuno, K. Masuda, Keisuke Ito, 2020, Heliyon.

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

Koji Tsuda, Biao Ma, Hiroaki Iwata, 2018, J. Comput. Chem..

Machine learning accelerates MD-based binding pose prediction between ligands and proteins

Koji Tsuda, Hiroaki Iwata, Yasushi Okuno, 2017, Bioinform..

Feature extraction of particle morphologies of pharmaceutical excipients from scanning electron microscope images using convolutional neural networks.

Hiroaki Iwata, Takuto Koyama, Yoshihiro Hayashi, 2024, International journal of pharmaceutics.

The apoptotic initiator caspase-8: its functional ubiquity and genetic diversity during animal evolution.

O. Gotoh, K. Tomii, K. Imai, 2014, Molecular biology and evolution.