In Grid representation, in a translational scan the mobile molecule B moves through the grid representing the static molecule A and a signal describing shape complementarity, fc, is generated for each mapping. Mathematically the correlation function, fc, of fA and fB is given by ______ where N is the number of grid points along the cubic axes i, j, and k and α, β, and γ are the translational vectors of the mobile molecule B relative to the static one A.

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.