Allows protein ligand-binding site comparison and database searching. SMAP-WS is a computation environment designed for web accessible 3D ligand-binding site comparison and similarity searching on a structural proteome scale. The software is capable of an all-by-all comparison of binding sites for a complete structural proteome. It can assist users in addressing practical problems in biology and drug discovery.
San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA; National Biomedical Computation Resource University of California San Diego, La Jolla, CA, USA; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA
SMAP-WS funding source(s)
Supported by National Institutes of Health grant GM078596; and National Center for Research Resources, National Institutes of Health NIH P41RR08605 for the National Biomedical Computation Resource (NBCR).