„docking“
Suchergebnisse
7.903 Treffer
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Exploring the binding pocket for pyridopyrimidine ligands at the CCK1 receptor by molecular docking
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Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDock
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Identification of potential Zika virus NS2B-NS3 protease inhibitors via docking, molecular dynamics and consensus scoring-based virtual screening
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Molecular docking and 3D-QSAR studies on triazolinone and pyridazinone, non-nucleoside inhibitor of HIV-1 reverse transcriptase
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Dual-inhibitors of STAT5 and STAT3: studies from molecular docking and molecular dynamics simulations
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Study of interaction of human serum albumin with curcumin by NMR and docking
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Homology modeling and flex-ligand docking studies on the guinea pig β2 adrenoceptor: structural and experimental similarities/ differences with the human β2
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Development of sodium glucose co-transporter 2 (SGLT2) inhibitors with novel structure by molecular docking and dynamics simulation
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Receptor-based pharmacophore modeling, virtual screening, and molecular docking studies for the discovery of novel GSK-3β inhibitors
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Docking study and binding free energy calculation of poly (ADP-ribose) polymerase inhibitors
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Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: A docking and molecular dynamics study
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Evaluation of the utility of homology models in high throughput docking
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Structure and functional features of olive pollen pectin methylesterase using homology modeling and molecular docking methods
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Vibrational Analysis (FT-IR and FT-Raman Spectra) and Molecular Docking Evaluation of MPTB in GABA Receptor
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Molecular docking and dynamic studies of crepiside E beta glucopyranoside as an inhibitor of snake venom PLA2
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Structural analysis and charge transfer properties of a novel pyrazoline derivative: potential energy scan, XRD, DFT and molecular docking studies
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Pharmacophore modeling, docking and molecular dynamics to identify Leishmania major farnesyl pyrophosphate synthase inhibitors
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Synthesis, docking, and cytotoxic activities of novel 2-aryl-4-(arylamino)quinazolines
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Design, synthesis, molecular docking, and in vitro antidiabetic activity of novel PPARγ agonist
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Extra precision glide docking, free energy calculation and molecular dynamics studies of 1,2-diarylethane derivatives as potent urease inhibitors