| 2016 | Design, synthesis, and anticancer activity of C8-substituted-4 '-thionucleosides as potential HSP90 inhibitors | 최선 | Article |
| 2007 | Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as a multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase | 이강만; 정낙신; 최선 | Meeting Abstract |
| 2021 | Discovery and Biological Evaluation of N-Methyl-pyrrolo[2,3-b]pyridine-5-carboxamide Derivatives as JAK1-Selective Inhibitors | 최선; 강수성 | Article |
| 2022 | Discovery of (E)-3-(3-((2-Cyano-4' -dimethylaminobiphenyl-4-ylmethyl)cyclohexanecarbonylamino)-5-fluorophenyl)acrylic Acid Methyl Ester, an Intestine-Specific, FXR Partial Agonist for the Treatment of Nonalcoholic Steatohepatitis | 이화정; 김대기; 권영주; 최선; 박서정 | Article |
| 2021 | Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift | 최선; 이윤지 | Article |
| 2019 | Discovery of Conformationally Restricted Human Glutaminyl Cyclase Inhibitors as Potent Anti-Alzheimer's Agents by Structure-Based Design | 최선 | Article |
| 2016 | Discovery of N-(3-fluoro-4-methylsulfonamidomethylphenyl)urea as a potent TRPV1 antagonistic template | 최선 | Article |
| 2023 | Dynamic allosteric networks drive adenosine A1 receptor activation and G-protein coupling | 최선; Miguel Angel Maria Solano | Article |
| 2018 | Evolution of In Silico Strategies for Protein-Protein Interaction Drug Discovery | 최선; 강수성 | Review |
| 2017 | Expediting the Design, Discovery and Development of Anticancer Drugs using Computational Approaches | 최선 | Review |
| 2018 | Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design | 최선; 강수성 | Review |
| 2008 | FAK/SRC PATHWAY PLAYS A KEY ROLE IN FARNESIFEROL C INDUCED ANTIANGIOGENIC AND ANTITUMOR ACTIVITIES | 최선; 이윤지 | Meeting Abstract |
| 2022 | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A(2A) Adenosine Receptor | 최선 | Article |
| 2016 | Harnessing the Therapeutic Potential of Capsaicin and Its Analogues in Pain and Other Diseases | 최선 | Review |
| 2019 | Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs) | 최선; 이윤지 | Article |
| 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 |
| 2020 | Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies | 최선; Siti Raudah Mohamed Lazim | Review |
| 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 |
| 2009 | Non-vanillyl resiniferatoxin analogues as potent and metabolically stable transient receptor potential vanilloid 1 agonists | 최선; 이윤지 | Article |
| 2023 | On the classical reaction rate and the first-time problems of Brownian motion | 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 |
| 2018 | Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations | 최선; 이윤지 | Article |
| 2015 | Role of computer-aided drug design in modern drug discovery | 최선 | Review |
| 2018 | Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus | 최선; 박진병; 남상집; 차선신 | Article |
| 2021 | Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers | 최선; Siti Raudah Mohamed Lazim | Review |
| 2011 | Structural insights into TRPV1 from homology modeling, docking, and mutational studies for the discovery of TRPV1 modulators | 최선 | Meeting Abstract |
| 2011 | Structural studies of S-Adenosylhomocysteine hydrolase and binding mode analysis with novel mechanism-based inhibitors, halo-neplanocin A analogs | 정낙신; 최선 | Meeting Abstract |
| 2012 | Structure activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N '-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism | 최선 | Meeting Abstract |
