GVSS is developed for large-scale drug screening. It vastly reduces the cost and time of screening by the distributed computing infrastructure. From data preparation, docking simulation, results analysis to visualization, all the services in the virtual screening process are supported by the GVSS web portal. Both Audock version 3 and version 4 are supported by GVSS2 now. GVSS also provides around 700 proteins from Protein Data Bank and about 10 million drug compounds from the ZINC database as the default data source.   

 

 

Category

Web service or application [2]

 

Scientific areas

Life sciences [3]

 

Main features

large-scale virtual screening system with web portal [4]

full-workflow and prepared protein and compound database [5]

 

License

 

Supported Operating Systems

 

Supported CPU Architectures

 

Programming languages

 

Build tools

 

Test tools