| 2006 | Balancing focused combinatorial libraries based on multiple GPCR ligands | 최선 | Article |
| 2022 | Big data and artificial intelligence (AI) methodologies for computer-aided drug design (CADD) | 최선 | Review |
| 2007 | Binding mode analysis of topoisomerase inhibitors, 6-arylamino-7-chloro- quinazoline-5,8-diones, within the cleavable complex of human topoisomerase I and DNA | 김춘미; 최선 | Article |
| 2008 | Capsiate, a nonpungent capsaicin-like compound, inhibits angiogenesis and vascular permeability via a direct inhibition of Src kinase activity | 최선 | Article |
| 2022 | CHARMM-GUI Enhanced Sampler for various collective variables and enhanced sampling methods | 최선 | Article |
| 2015 | Communication over the Network of Binary Switches Regulates the Activation of A(2A) Adenosine Receptor | 최선 | Article |
| 2017 | Comprehensive computational study of glutaminyl cyclase inhibitors, TRPV1 antagonists, and cytochrome P450 inhibitors | CUI MINGHUA | Doctoral Thesis |
| 2019 | Comprehensive mechanistic studies of a tetraspanin arginine sensor, polypharmacological profiling of montelukast, and in silico design of elongation factor 1-alpha inhibitors | MACALINO, STEPHANI JOY YARCIA | Doctoral Thesis |
| 2018 | Computational Studies of Janus Kinase (JAK) 1 Selective Inhibitors | 박종미 | Master's Thesis |
| 2014 | Design, Stereoselective Synthesis, and Biological Activity of Neplanocin A Analogues | 문양원 | Master's Thesis |
| 2016 | Design, synthesis, and anticancer activity of C8-substituted-4 '-thionucleosides as potential HSP90 inhibitors | 최선 | Article |
| 2010 | Design, synthesis, and binding of homologated truncated 4′-thioadenosine derivatives at the human A3 adenosine receptors | 정낙신; 최선; 최원준 | Article |
| 2014 | Design, Synthesis, and Biological Activity of 6′-β-Fluoroaristeromycin Analogues as Potent S-Adenosylhomocysteine Hydrolase Inhibitor | 김상아 | Master's Thesis |
| 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 |
| 2007 | Design, synthesis, and molecular modeling studies of 5′-deoxy-5′-ureidoadenosine: 5′-ureido group as multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase | 이강만; 정낙신; 최선 | Article |
| 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 |
| 2010 | Discovery of a new human A2A adenosine receptor agonist, truncated 2-hexynyl-4′-thioadenosine | 정낙신; 최선 | Article |
| 2009 | Discovery of a new template for anticancer agents: 2′-deoxy-2′- fluoro-4′-selenoarabinofuranosyl-cytosine (2′-F-4′-seleno-ara- C) | 정낙신; 이상국; 최선; 최원준 | 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 |
| 2017 | Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design | 최선 | Article |
| 2023 | DMAP and TBPP-mediated synthesis of urea-substituted nucleobases and nucleosides | 최선; 유진하 | Article |
| 2009 | Docking studies of Farnesiferol C onto Src tyrosine kinase and focal adhesion kinase and 3D-QSAR studies of heterocyclic quinones with inhibitory activity on vascular smooth muscle cell proliferation | 이윤지 | Master's Thesis |
| 2023 | Dynamic allosteric networks drive adenosine A1 receptor activation and G-protein coupling | 최선; Miguel Angel Maria Solano | Article |
| 2023 | Dynamic allosteric networks drive adenosine A1 receptor activation and G-protein coupling | 최선; Miguel Angel Maria Solano | Article |
| 2006 | Efficient synthesis of 2-substituted 2,3-dihydro-4-quinolones as potential intermediates for 2-substituted 1,2,3,4-tetrahydro-4-quinolone antitumor agents | 최선; 류재상 | Article |
| 2021 | Emerging computational approaches for the study of regio- And stereoselectivity in organic synthesis | 최선; Pratanphorn Nakliang | Review |
| 2018 | Evolution of In Silico Strategies for Protein-Protein Interaction Drug Discovery | 최선; 강수성 | Review |
