On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure

It is shown that the computer program LUDI can be used to search large database of three-dimensional structures for putative ligands of proteins with known 3D structure. As an example, a subset of approximately 30,000 small molecules (with less than 40 atoms and 0-2 rotatable bonds) from the Fine Chemicals Directory has been used in the search for possible… CONTINUE READING