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Bioorganic & Medicinal Chemistry|November 11, 2008
Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulationsSerdar Durdagi, Thomas Mavromoustakos, Nikos Chronakis, et al.Journal of Molecular Graphics & Modelling|October 7, 2020
Potent novel inhibitors against hepatitis C virus NS3 (HCV NS3 GT-3a) protease domainSaima Ikram, Jamshaid Ahmad, Irshad-Ur Rehman, et al.Molecular Diversity|February 6, 2015
Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactionsRamin Ekhteiari Salmas, Mine Yurtsever, Matthias Stein, et al.Journal of Molecular Graphics & Modelling|October 8, 2020
Physics-driven identification of clinically approved and investigation drugs against human neutrophil serine protease 4 (NSP4): A virtual drug repurposing studyJamshaid Ahmad, Saima Ikram, Ahmer Bin Hafeez, et al.Chemmedchem|April 28, 2025
Beyond Docking: A Multi-Tier Computational Pipeline for USP7 Inhibitor OptimizationSerdar Durdagi, Ehsan Sayyah, Muhammet Eren Ulug, et al.Journal of Chemical Information and Modeling|March 15, 2018
Structural Investigation of the Dopamine-2 Receptor Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR StatesRamin Ekhteiari Salmas, Philip Seeman, Matthias Stein, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2019
Novel AChE and BChE inhibitors using combined virtual screening, text mining and in vitro binding assaysKader Sahin, Belma Zengin Kurt, Fatih Sonmez, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|May 8, 2015
Discovering novel carbonic anhydrase type IX (CA IX) inhibitors from seven million compounds using virtual screening and in vitro analysisRamin Ekhteiari Salmas, Murat Senturk, Mine Yurtsever, et al.ACS Omega|November 6, 2023
Utilizing Heteroatom Types and Numbers from Extensive Ligand Libraries to Develop Novel hERG Blocker QSAR Models Using Machine Learning-Based ClassifiersSafa Haddad, Lalehan Oktay, Ismail Erol, et al.Bioorganic & Medicinal Chemistry|November 6, 2012
Synthesis of 1,4-bis(indolin-1-ylmethyl)benzene derivatives and their structure-activity relationships for the interaction of human carbonic anhydrase isoforms I and IIOktay Talaz, Hüseyin Cavdar, Serdar Durdagi, et al.Pageof 16