| 2016 | Harnessing the Therapeutic Potential of Capsaicin and Its Analogues in Pain and Other Diseases | 최선 | Review |
| 2010 | Herbal compound farnesiferol C exerts antiangiogenic and antitumor activity and targets multiple aspects of VEGFR1 (Flt1) or VEGFR2 (Flk1) signaling cascades | 최선 | Article |
| 2013 | Heterocycle-linked phenylbenzyl amides as novel TRPV1 antagonists and their TRPV1 binding modes: Constraint-induced enhancement of in vitro and in vivo activities | 최선 | Article |
| 2017 | Homology Modeling of TRPV1 and Binding Mode Analysis of Potent Antagonists | 홍선혜 | Master's Thesis |
| 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 |
| 2019 | In Vivo Albumin Traps Photosensitizer Monomers from Self-Assembled Phthalocyanine Nanovesicles: A Facile and Switchable Theranostic Approach | 윤주영; 최선 | Article |
| 2012 | Induced-fit docking studies of phosphatidylinositide 3-kinase inhibitors and virtual screening of cell translocating kinase A inhibitors | 이정현 | Master's Thesis |
| 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 |
| 2010 | Machine Learning and 3D-QSAR Studies of A₃ Adenosine Receptor Modulators | 이선경 | Master's Thesis |
| 2010 | Machine Learning and Docking Studies of Cytochrome P450 Ligands | 김보연 | Master's Thesis |
| 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 |
| 2018 | Molecular Docking Studies of TRPV1 Antagonists and Glutaminyl Cyclase (QC) Inhibitors | 김은혜 | Master's Thesis |
| 2011 | Molecular modeling studies for the discovery of potent A₃ AR and TRPV1 modulators and in silico prediction of CYP inhibition and BBB permeability | 이진희 | Doctoral Thesis |
| 2012 | Molecular modeling studies of A2A adenosine receptor and TRPV1 modulators | 박슬기 | Master's Thesis |
| 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 |
| 2014 | Molecular modeling studies to investigate structure-activity relationships of TRPV1 modulators and identify species differences of 11β-HSD1 | 손가람 | Master's Thesis |
| 2013 | Multi-scale simulation studies of S-Adenosylhomocysteine hydrolase, A₂AAR, and TRPV1 to investigate their domain motion, allostery, and ligand binding | 이윤지 | Doctoral Thesis |
| 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 |
