ModFlex: Towards Function Focused Protein Modeling.

ABSTRACT: There is a wide, and continuously widening, gap between the number of proteins known only by their amino acid sequence versus those structurally characterized by direct experiment. To close this gap, we mostly rely on homology-based inference and modeling to reason about the structures of the uncharacterized proteins by using structures of homologous proteins as templates. With the rapidly growing size of the Protein Data Bank, there are often multiple choices of templates, including multiple sets of coordinates from the same protein. The substantial conformational differences observed between different experimental structures of the same protein often reflect function related structural flexibility. Thus, depending on the questions being asked, using distant homologs, or coordinate sets w

SUBMITTER: Sedova M 

PROVIDER: S-EPMC8428579 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature