ligands protein interactions, Visualizations, Dock score analysis
Identification of binding site for maximum interactions
Identify your successful target for selected disease before you start
Design your custom library for targeting specific disease
Screen your desired most potent ligands for in-vitro analysis
Prediction of Drug like properties of screened ligands
Share your receptor ligand complex for MD-Simulation
Time: 100ns, 1000ns, 2500ns, 5000ns
Optimization of molecules at ground state containing metals and non-metals using Gaussian 16 Package with GaussView 6. TD-DFT of Optimized molecules, HOMO, LUMO, Energy gap,(NBO), (NTOs), (TDM), Density of state (DOS), IR-Spectra & RAMAN Spectra (DFT), (EDDMs),(LHE), and RDG in drug designed.
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