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Chemical Biology & Drug Design|July 20, 2013
Homology modeling, docking studies and molecular dynamic simulations using graphical processing unit architecture to probe the type-11 phosphodiesterase catalytic site: a computational approach for the rational design of selective inhibitorsElena Cichero, Pasqualina D'Ursi, Marco Moscatelli, et al.Molecular Informatics|August 23, 2016
Further Insights in the Binding Mode of Selective Inhibitors to Human PDE4D Enzyme Combining Docking and Molecular DynamicsPasqualina D'Ursi, Sara Guariento, Gabriele Trombetti, et al.Pharmaceuticals (Basel, Switzerland)|December 9, 2020
New Insights into the Binding Features of F508del CFTR Potentiators: A Molecular Docking, Pharmacophore Mapping and QSAR Analysis ApproachGiada Righetti, Monica Casale, Michele Tonelli, et al.International Journal of Molecular Sciences|July 29, 2025
Alzheimer's Disease Etiology Hypotheses and Therapeutic Strategies: A PerspectiveNaomi Scarano, Francesca Musumeci, Beatrice Casini, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|March 10, 2017
Benzimidazole-based derivatives as privileged scaffold developed for the treatment of the RSV infection: a computational study exploring the potency and cytotoxicity profilesElena Cichero, Michele Tonelli, Federica Novelli, et al.Bioorganic & Medicinal Chemistry|January 30, 2008
Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Parallel synthesis, molecular modelling and structure-activity relationship studies on O-[2-(hetero)arylethyl]-N-phenylthiocarbamatesSara Cesarini, Andrea Spallarossa, Angelo Ranise, et al.Cells|November 27, 2021
A Boron Delivery Antibody (BDA) with Boronated Specific Residues: New Perspectives in Boron Neutron Capture Therapy from an In Silico InvestigationAlessandro Rondina, Paola Fossa, Alessandro Orro, et al.Journal of Cellular Physiology|December 16, 2011
Matrine modulates HSC70 levels and rescues ΔF508-CFTRAnna Basile, Maria Pascale, Silvia Franceschelli, et al.Bioorganic & Medicinal Chemistry Letters|January 30, 2002
alpha(1)-Adrenoceptor antagonists. Rational design, synthesis and biological evaluation of new trazodone-like compoundsLaura Betti, Maurizio Botta, Federico Corelli, et al.European Journal of Medicinal Chemistry|February 22, 2013
Synthesis, in vitro antiplatelet activity and molecular modelling studies of 10-substituted 2-(1-piperazinyl)pyrimido[1,2-a]benzimidazol-4(10H)-onesMario Di Braccio, Giancarlo Grossi, Maria Grazia Signorello, et al.Pageof 11