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Bioorganic & Medicinal Chemistry Letters|October 28, 2008
3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitorsSerdar Durdagi, Thomas Mavromoustakos, Manthos G PapadopoulosJournal of Enzyme Inhibition and Medicinal Chemistry|February 3, 2017
Investigation of PDE5/PDE6 and PDE5/PDE11 selective potent tadalafil-like PDE5 inhibitors using combination of molecular modeling approaches, molecular fingerprint-based virtual screening protocols and structure-based pharmacophore developmentGülru Kayık, Nurcan Ş Tüzün, Serdar DurdagiJournal of Biomolecular Structure & Dynamics|July 27, 2018
Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR modelsMehreen Zaka, Bilal Haider Abbasi, Serdar DurdagiJournal of Biomolecular Structure & Dynamics|September 2, 2016
In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitorsGülru Kayık, Nurcan Ş Tüzün, Serdar DurdagiJournal of Molecular Graphics & Modelling|January 6, 2020
Elucidation of interaction mechanism of hERG1 potassium channel with scorpion toxins BeKm-1 and BmTx3bBeril Colak Gunay, Mine Yurtsever, Serdar DurdagiJournal of Molecular Graphics & Modelling|August 28, 2018
Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipelineMehreen Zaka, Bilal Haider Abbasi, Serdar DurdagiJournal of Molecular Graphics & Modelling|October 1, 2017
Structural investigation of vesnarinone at the pore domains of open and open-inactivated states of hERG1 K+ channelGülru Kayık, Nurcan Ş Tüzün, Serdar DurdagiScientific Reports|August 25, 2015
Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics SimulationsRamin Ekhteiari Salmas, Mine Yurtsever, Serdar DurdagiJournal of Biomolecular Structure & Dynamics|March 1, 2016
Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanismRamin Ekhteiari Salmas, Mine Yurtsever, Serdar DurdagiJournal of Molecular Graphics & Modelling|March 21, 2021
Screening of small molecule libraries using combined text mining, ligand- and target-driven based approaches for identification of novel granzyme H inhibitorsSaima Ikram, Fawad Ahmad, Jamshaid Ahmad, et al.Pageof 16