Protein-protein interaction networks and protein-ligand docking: Contemporary insights and future perspectives
Traditional research means, such as in vitro and in vivo models, have consistently been used by scientists to test hypotheses in biochemistry. Computational (in silico) methods have been increasingly devised and applied to testing and hypothesis development in biochemistry over the last decade. The aim of in silico methods is to analyze the quantit...
By Aleksandar Velesinović, Goran Nikolić
Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins
Summary In search for new and promising coumarin compounds as HIV-1 integrase inhibitors, chemoinformatic methods like quantitative structure-activity relationships (QSAR) modeling and molecular docking have an important role since they can predict desired activity and propose molecule binding to enzyme. The aim of this study was building of QSAR m...
By Jovana Veselinović, Aleksandar Veselinović, Andrey Toropov, Alla Toropova, Ivana Damnjanović, Goran Nikolić