Alex Dean

Benefits of Virtual Screening

Discussion created by Alex Dean on Jul 30, 2018

Benefits of Virtual Screening include:

 

In silico study in medicine takes advantage of computer simulations to predict the protein-ligand binding site, reducing real laboratory experiments and accelerating the drug discovery process in a more efficient and economical way.

 

Development of new algorithms, for the detection of structurally similar protein binding sites, enables us to search for local similarities in physicochemical properties in different protein surface structures independently of sequence or fold. Adapting specialized computational hardware and super high-performance computer cluster with total 60 blades and 720 cores, our system is capable to evaluate >1,000,000 compounds in less than 10 days.

Outcomes