| 2010 | Identification of a potent and noncytotoxic inhibitor of melanin production | 최선 | Article |
| 2013 | Identification of active Plasmodium falciparum calpain to establish screening system for Pf-calpain-based drug development | 최선; 이정현 | Article |
| 2019 | Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs) | 최선; 이윤지 | Article |
| 2010 | In silico classification of adenosine receptor antagonists using Laplacian-modified naïve Bayesian, support vector machine, and recursive partitioning | 최선 | Article |
| 2017 | In silico prediction of multiple-category classification model for cytochrome P450 inhibitors and non-inhibitors using machine-learning method | 최선 | Article; Proceedings Paper |
| 2018 | Inhibitory effect of tartrate against phosphate-induced DJ-1 aggregation | 최선; 차선신 | Article |
| 2018 | Integrated Ligand and Structure-Based Investigation of Structural Requirements for Silent Information Regulator 1 (SIRT1) Activation | 최선 | Review |
| 2011 | Link between allosteric signal transduction and functional dynamics in a multisubunit enzyme: S-adenosylhomocysteine hydrolase | 정낙신; 최선 | Article |
| 2013 | Mapping the intramolecular signal transduction of G-protein coupled receptors | 최선 | Article in Press |
| 2017 | MLACP: Machine-learning-based prediction of anticancer peptides | 최선 | Article |
| 2013 | Molecular Modeling Studies of the Novel Inhibitors of DNA Methyltransferases SGI-1027 and CBC12: Implications for the Mechanism of Inhibition of DNMTs | 최선; 유자경 | Article |
| 2020 | Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies | 최선; Siti Raudah Mohamed Lazim | Review |
| 2012 | N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure-activity relationships in the A-region | 최선 | Article |
| 2021 | N-terminus-independent activation of c-Src via binding to a tetraspan(in) TM4SF5 in hepatocellular carcinoma is abolished by the TM4SF5 C-terminal peptide application | 최선; 이윤지 | Article |
| 2017 | N6-Substituted 5′-N-Methylcarbamoyl-4′-selenoadenosines as Potent and Selective A3 Adenosine Receptor Agonists with Unusual Sugar Puckering and Nucleobase Orientation | 최선 | Article |
| 2009 | Non-vanillyl resiniferatoxin analogues as potent and metabolically stable transient receptor potential vanilloid 1 agonists | 최선; 이윤지 | Article |
| 2011 | Novel oxidative modifications in redox-active cysteine residues | 이공주; 최선; 신동해 | Article |
| 2023 | On the classical reaction rate and the first-time problems of Brownian motion | 최선 | Article |
| 2009 | Oxidative modifications of glyceraldehyde-3-phosphate dehydrogenase play a key role in its multiple cellular functions | 이공주; 김영미; 최선 | Article |
| 2016 | Polymodal Transient Receptor Potential Vanilloid Type 1 Nocisensor: Structure, Modulators, and Therapeutic Applications | 최선 | Review; Book Chapter |
| 2018 | Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region | 최선 | Article |
| 2014 | Promiscuous gating modifiers target the voltage sensor of Kv7.2, TRPV1, and Hv1 cation channels | 최선 | Article |
| 2017 | Pyrazole C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists | 최선 | Article |
| 2018 | Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations | 최선; 이윤지 | Article |
| 2021 | Recent applications of deep learning methods on evolutionand contact-based protein structure prediction | 최선 | Review |
| 2011 | Receptor activity and conformational analysis of 5′-halogenated resiniferatoxin analogs as TRPV1 ligands | 최선 | Article |
| 2015 | Role of computer-aided drug design in modern drug discovery | 최선 | Review |
| 2012 | Selectivity Enhancement Arising from Interactions at the PI3K Unique Pocket | 최선; 이정현 | Article |
| 2006 | Stereoselective functionalization of the 1′-position of 4′-thionucleosides | 정낙신; 최선; 류재상 | Article |
| 2008 | Stereoselective synthesis and conformational study of novel 2′,3′-didehydro-2′,3′-dideoxy-4′-selenonucleosides | 정낙신; 최선; 최원준 | Article |
