First Author

Intracellular loop in the brain isoforms of Anoctamin 2 channels regulates calcium-dependent activation

Quantum Mechanics

Drug Discovery

Exp Neurobiol 2023; 32(3): 133-146

First Author

Identification of novel natural product inhibitors against matrix metalloproteinase 9 using quantum mechanical fragment molecular orbital-based virtual screening methods

Quantum Mechanics

Drug Discovery

IJMS 23, no. 8 (2022): 4438

Non-first Author

Hot spot analysis of YAP-TEAD protein-protein interaction using the fragment molecular orbital method and its application for inhibitor discovery

Quantum Mechanics

Drug Discovery

Cancers 13, no. 16 (2021): 4246

First Author

Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method

Quantum Mechanics

Drug Discovery

Scientific reports 10, no. 1 (2020): 1-8

First Author

Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method

Quantum Mechanics

Drug Discovery

Scientific reports 9, no. 1 (2019): 1-11

First Author

Investigation of hot spot region in XIAP inhibitor binding site by fragment molecular orbital method

Quantum Mechanics

Drug Discovery

CSBJ 17 (2019): 1217-1225

Non-first Author

Application of the fragment molecular orbital method to discover novel natural products for prion disease

Quantum Mechanics

Drug Discovery

Scientific reports 8, no. 1 (2018): 13063

First Author

Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors

Machine Learning

Protein Design

BMC Bioinformatics, 23, 520 (2022)

First Author

Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein

Machine Learning

Protein Design

CSBJ 20 (2022): 788-798

First Author

Fragment molecular orbital-based variational quantum eigensolver for quantum chemistry in the age of quantum computing

Quantum Mechanics

Quantum Computing

Scientific reports 14, no. 1 (2024): 1-13

First Author

Quantum computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes

Quantum Mechanics

Quantum Computing

Scientific reports 12, no. 1 (2022): 1-10

Poster

Development of Computer-Aided Rational Protein Engineering Toolkit (CARPET)

ICBE Asia 2020 – 10th International Conference

Singapore, 2020.01.08

Flash Talk

Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method

AHeDD2019/IPAB2019 Joint Symposium

Kawasaki, 2019.11.29

Poster

In silico drug discovery targeting Hippo pathway and YAP-TEAD Protein Protein Interactions for a small molecular anti-cancer agent

The Hippo Pathway: Signaling, Cancer, and Beyond

San Diego, 2019.05.09

Poster

Analysis of protein-protein interactions between Programmed Death 1 (PD-1) and its ligand (PD-L1) with Fragment Molecular Orbitals (FMO)

Asia Hub for e-Drug Discovery (AHeDD 2018)

Gangneung, 2018.09.27

Poster

Specific interactions of protein-protein interaction between human programmed death 1 (PD-1) and its ligand 1 (PD-L1) with ab initio fragment molecular orbital method

Biophysical Journal 114, no. 3 (2018): 423a

United States, 2018.02.20