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Molecular Dynamics Services In United Kingdom
2 services found
by:Acellera based inStanmore, UNITED KINGDOM
This protocol simulates the target of interest (GPCR, kinase, ion channel, etc.) in a solution of water and a co-solvent, like benzene or any other fragment-like molecule. During the simulation, the co-solvent molecules interact with the surface of the protein, revealing binding hotspots. These hotspots have been proven to correlate very well with actual pockets. Furthermore, binding modes for ...
by:Acellera based inStanmore, UNITED KINGDOM
Hit identification is the last step in the early stages of drug discovery. Our docking and virtual screening protocol, which takes protein flexibility and waters into account, can boost the enrichment and increase your chances of finding a hit ...