@article {85526,
	title = {Combinatorial computational method gives new picomolar ligands for a known enzyme},
	journal = { Proc. Natl. Acad. Sci. USA},
	volume = {99},
	year = {2002},
	pages = {1270 - 1273},
	abstract = {Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (Kd ~ 30 pM) of human carbonic anhydrase II.},
	url = {http://dx.doi.org/10.1073/pnas.032673399},
	author = {Bartosz A. Grzybowski and Alexey V. Ishchenko and Chu-Young Kim and George Topalov and Robert Chapman and David W. Christianson and George M. Whitesides and Eugene I. Shakhnovich}
}
