METHOD AND SYSTEM TO BUILD OPTIMAL MODELS OF 3-DIMENSIONAL MOLECULAR STRUCTURES

摘要

The present invention relates to it is a kind of come construct corresponding minimum energy values molecular structure threedimensional model from understanding their chemical structure. The system is searched through conformational space using mutually orthogonal Latin square and obtains best conformation. The system can be also used for obtaining best any function, and is more than that and is related to biomolecular structure.