9 research outputs found
Ligand-based design, virtual screening, and ADME/T-based profiling on a dataset of 1,3,5-triazine-substituted benzene sulfonamides as carbonic anhydrase inhibitors
No full textIdentification of novel hits as highly prospective dual agonists for mu and kappa opioid receptors: an integrated in silico
No full textProbing the “fingers” domain binding pocket of Hepatitis C virus NS5B RdRp and D559G resistance mutation via molecular docking, molecular dynamics simulation and binding free energy calculations
No full textInsights into intermolecular interactions, electrostatic properties and the stability of C646 in the binding pocket of p300 histone acetyltransferase enzyme: a combined molecular dynamics and charge density study
No full textSynthesis, anticancer activity and docking studies of N -phenyl-2-(2-((4-phenyl piperazin-1-yl) methyl)-1 H -benzo [ d ] imidazol-1-yl) acetamides
No full textComputer-aided identification of lung cancer inhibitors through homology modeling and virtual screening
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