Background: The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for...
The DBAli tools use a comprehensive set of structural alignments in the DBAli database to leverage the structural information deposited in the Protein Data Bank (PDB). These tools...
— The ability to identify protein binding sites and to detect specific amino acid residues that contribute to the specificity and affinity of protein interactions has importan...
Abstract: Graphs are often used to describe and analyze the geometry and physicochemical composition of biomolecular structures, such as chemical compounds and protein active sites...
Thomas Fober, Marco Mernberger, Ralph Moritz, Eyke...
Background: The rapid development of structural genomics has resulted in many "unknown function" proteins being deposited in Protein Data Bank (PDB), thus, the functiona...