ABSTRACT
Let us first examine some key terms. Computer-assisted molecular modeling ( CAMM) is a relatively new and rapidly developing tool in drug design. Computer graphics techniques allow the transformation of complex data sets obtained, e.g., from theoretical chemical calculations or X-ray diffraction patterns, into a picture on a computer screen. Chemical structures, whether small ligand or macromolecule, and their properties may thus be visualized, manipulated, and matched or combined with other relevant molecules. Thus, the perspective of conventional molecular models, such as Dreiding or CPK, has been dramatically expanded. In addition,
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