Perspective on computational and structural aspects of kinase discovery from IPK2014.

Mining Biological Repetitive Sequences Using Support Vector Machines and Fuzzy SVM

Structural repetitive subsequences are most important portion of biological sequences, which play crucial roles on corresponding sequence’s fold and functionality. Biggest class of the repetitive subsequences is “Transposable Elements” which has its own sub-classes upon contexts’ structures. Many researches have been performed to criticality determine the structure and function of repetitiv...

Computational investigation of ginsenoside F1 from Panax ginseng Meyer as p38 MAP Kinase Inhibitor: Molecular docking and dynamics simulations, ADMET analysis, and drug likeness prediction.

Ginsenoside F1 is a biologically active compound identified potential from Korean Panax ginseng Meyer. In the present study, the potential targets of ginsenoside F1 were investigated by computational target fishing approaches including ADMET prediction, biological activity prediction from chemical structure, molecular docking, and molecular dynamics methods. Results were suggested to express th...

Computational investigation of ginsenoside F1 from Panax ginseng Meyer as p38 MAP Kinase Inhibitor: Molecular docking and dynamics simulations, ADMET analysis, and drug likeness prediction.

Ginsenoside F1 is a biologically active compound identified potential from Korean Panax ginseng Meyer. In the present study, the potential targets of ginsenoside F1 were investigated by computational target fishing approaches including ADMET prediction, biological activity prediction from chemical structure, molecular docking, and molecular dynamics methods. Results were suggested to express th...

Rho Kinase Inhibitors as a Novel Treatment for Glaucoma and Ocular Hypertension

In an elegant example of bench-to-bedside research, a hypothesis that cells in the outflow pathway actively regulate conventional outflow resistance was proposed in the 1990s and systematically pursued, exposing novel cellular and molecular mechanisms of intraocular pressure (IOP) regulation. The critical discovery that pharmacologic manipulation of the cytoskeleton of outflow pathway cells dec...

A computational investigation on the structural features of alkanolamine solvents for CO2 capture process from power plant flue gas