Information about shape, hydrophobicity, electrostatics, evolutionary relationships and conformational flexibility is not always available and the search for a universally applicable scoring function as well as an adequate treatment of conformational flexibility is ongoing.

Function prediction from structure can be achieved by global comparison of protein structures to detect homology or through the use of structural templates derived from the active sites of enzymes.

Topics include: Molecular Complementarity, Conformational Flexibility, & Evaluation of Models & Visualization Methods.