molecular docking – BioExcel – Centre of Excellence for Computation Biomolecular Research

This figure illustrates the information-driven modeling of biomolecular complexes, within the central panel, an illustration of various information sources, on the left, a docking protocol that would only make use of the information in the filtering stage after sampling the interaction space, and on the right, an information-guided docking protocol that uses the data to bias the sampling and score the resulting models.

Information-Driven Modeling of Biomolecular Complexes

October 5, 2021November 3, 2022Stian Soiland-Reyes

Proteins play crucial roles in every cellular process by interacting with each other, nucleic acids, metabolites, and other molecules. The resulting assemblies can [...]