Arthur Weininger og Susan Weininger hjá Weininger Works Incorporated flytja erindi á málstofu í efnafræði og lífefnafræði undir heitinu “Using the Protein Data Bank to Interpret Structure and Infer Function”.
Protein structures are best interpreted using the entire protein data bank as a reference. Structures with related function can be oriented relative to one another using atoms with shared common spatial occupancy. Spatially distributed atoms whose relative geometries are conserved can be used to orient substructures (e.g., active sites) that have a similar function while not necessarily being sequence homologous. Spatially clustered atoms can be used to identify domains with functional significance (e.g., receptor binding domains). We will show examples of: active site identification, viral capsid building and interpretation, isolation of features associated with disease, and generation of new pharmaceutical candidates. This type of analysis provides a framework for understanding mutations and the structural and functional changes.
Eftir málstofuna munu þau kenna á forritið ef áhugi er fyrir hendi.