Ontology highlight
ABSTRACT:
SUBMITTER: Mamonov AB
PROVIDER: S-EPMC4814242 | biostudies-literature | 2016 Apr
REPOSITORIES: biostudies-literature
Journal of computational chemistry 20160202 11
The fast Fourier transform (FFT) sampling algorithm has been used with success in application to protein-protein docking and for protein mapping, the latter docking a variety of small organic molecules for the identification of binding hot spots on the target protein. Here we explore the local rather than global usage of the FFT sampling approach in docking applications. If the global FFT based search yields a near-native cluster of docked structures for a protein complex, then focused resamplin ...[more]