title: Pattern recognition strategies for molecular surfaces. II. Surface complementarity
abstract: For pt.I see ibid., vol.23, p.1176-87 (2002). Fuzzy logic based algorithms for the quantitative treatment of complementarity of molecular surfaces are presented. Therein, the overlapping surface patches defined in part I of this series are used. The identification of complementary surface patches can be considered as a first step for the solution of molecular docking problems. Standard technologies can then be used for further optimization of the resulting complex structures. The algorithms are applied to 33 biomolecular complexes. After the optimization with a downhill simplex method, for all these complexes one structure was found, which is in very good agreement with the experimental results
keyphrases: pattern recognition strategies molecular surfaces surface complementarity fuzzy logic based algorithms quantitative treatment overlapping surface optimization biomolecular complexes downhill simplex method