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Autor:
Nicolas Baurin, Vincent Mikol, Erdogan Tastan, Michael Oberlin, Romano T. Kroemer, Hervé Minoux
Publikováno v:
Journal of chemical information and modeling. 52(8)
The implementation of a structure based virtual affinity maturation protocol and evaluation of its predictivity are presented. The in silico protocol is based on conformational sampling of the interface residues (using the Dead End Elimination/A* alg