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ACS Chemical Neuroscience|March 9, 2017
Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus DockingRamin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan, et al.Journal of Molecular Graphics & Modelling|November 21, 2017
Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studiesShaher Bano Mirza, Regina Ching Hua Lee, Justin Jang Hann Chu, et al.Bioorganic Chemistry|September 4, 2017
The synthesis of novel sulfamides derived from β-benzylphenethylamines as acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase enzymes inhibitorsAkın Akıncıoğlu, Ebutalib Kocaman, Hülya Akıncıoğlu, et al.Bioorganic Chemistry|April 20, 2019
Synthesis, biological activity and multiscale molecular modeling studies of bis-coumarins as selective carbonic anhydrase IX and XII inhibitors with effective cytotoxicity against hepatocellular carcinomaBelma Zengin Kurt, Aydan Dag, Berna Doğan, et al.Proteins|August 27, 2010
Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulationsJulia Subbotina, Vladimir Yarov-Yarovoy, James Lees-Miller, et al.Bioorganic Chemistry|December 12, 2018
Combined molecular modeling and cholinesterase inhibition studies on some natural and semisynthetic O-alkylcoumarin derivativesIlkay Erdogan Orhan, F Sezer Senol Deniz, Ramin Ekhteiari Salmas, et al.Journal of Molecular Graphics & Modelling|September 29, 2017
Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studiesShaher Bano Mirza, Regina Ching Hua Lee, Justin Jang Hann Chu, et al.Journal of Biomolecular Structure & Dynamics|February 10, 2018
Combinatorial peptide library screening for discovery of diverse α-glucosidase inhibitors using molecular dynamics simulations and binary QSAR modelsAdriano Mollica, Gokhan Zengin, Serdar Durdagi, et al.Journal of Computer-Aided Molecular Design|July 13, 2010
An efficient synthesis of a rationally designed 1,5 disubstituted imidazole AT(1) angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studiesGeorge Agelis, Panagiota Roumelioti, Amalia Resvani, et al.Bioorganic Chemistry|September 6, 2021
Novel inhibitors of eukaryotic elongation factor 2 kinase: In silico, synthesis and in vitro studiesFerah Comert Onder, Serdar Durdagi, Nermin Kahraman, et al.Pageof 16