Computational Systems Biology, Publications

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SCI Papers

[Applied Biochemistry and Biotechnology] Identification of Novel Rab27a/Melanophilin Blockers by Pharmacophore-Based Virtual Screening
[Bull. Korean Chem. Soc.] Discovery of FAK Inhibitors Using Structure Based Drug Design
[Bioorganic & Medicinal Chemistry Letters] Discovery of (E)-5-(benzylideneamino)-1H-benzo[d]imidazol-2(3H)-one derivatives as inhibitors for PTK6
[Bull. Korean Chem. Soc.] Descriptor-Based Profile Analysis of Kinase Inhibitors to Predict Inhibitory Activity and to Grasp Kinase Selectivity
[SAR QSAR Environ Res.] yaInChI: Modified InChI string scheme for line notation of chemical structures
[Industrial & Engineering Chemistry Research (ACS Publications)] Quantitative Structure Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p‑Xylene Mixtures
[Proceedings of the National Academy of Sciences of the United States of America] A generalized G-SFED continuum solvation free energy calculation model
[Bulletin of the Korean Chemical Society] In silico Study on the Interaction between P-glycoprotein and Its Inhibitors at the Drug Binding Pocket
[Bulletin of the Korean Chemical Society] Identification of Polo-Like Kinase 1 Inhibitors Using Structure-Based Molecular Design
[SAR and QSAR in Environmental Research] An empirical model for gas phase acidity and basicity estimation
[Bulletin of the Korean Chemical Society] Darapladib Binds to Lipoprotein-Associated Phospholipase A2 with Meaningful Interactions
[Chemical Research in Toxicology] Human Nephrotoxicity Prediction Models for Three Types of Kidney Injury Based on Data Sets of Pharmacological Compounds and Their metabolits
[Journal of Chemical Information and Modeling] Ligand Aligning Method for Molecular Docking: Alignment of Property-Weighted Vectors
[Bulletin of the Korean Chemical Society] Prediction Models of P-Glycoprotein Substrates Using Simple 2D and 3D Descriptors by a Recursive Partitioning Approach
[Bulletin of the Korean Chemical Society] Prediction of Binding Mode between Chemokine Receptor CCR2 and Its Known Antagonists using Ligand Supported Homolgy Modeling
[Bulletin of the Korean Chemical Society] Prediction of Acute Toxicity to Fathead Minnow by Local Model Based QSAR and Global QSAR Approaches
[Journal of Chemical Information and Modeling] Development of surface-SFED models for polar solvents
[Bulletin of the Korean Chemical Society] Conformational Study of N-terminal Prion Peptides by Molecular Dynamics Simulations
[Bulletin of the Korean Chemical Society] Computational Drug Discovery Approach Based on Nuclaear Factor-kB Pathway Dynamics
[Journal of Molecular Modeling] Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring

Non-SCI Papers

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