Combinatorial computational method gives new picomolar ligands for a known enzyme.

Authors :: Grzybowski, Bartosz A.
Ishchenko, Alexey V.
Chu-Young Kim
Topalov, George
Chapman, Robert
Christianson, David W.
Whitesides, George M.
Shakhnovich, Eugene I.
Source :: Proceedings of the National Academy of Sciences of the United States of America. 2/5/2002, Vol. 99 Issue 3, p1270. 4p. 2 Diagrams, 2 Graphs.
Publication Year :: 2002
Abstract: Details the design of inhibitors for human carbonic anhydrase II using combinatorial small molecule growth algorithm. Principle of the COmbiMoG algorithm; Computational methodology involved; Potential applications of the technique in drug development.

Language :: English
ISSN :: 00278424
Volume :: 99
Issue :: 3
Database :: Academic Search Index
Journal :: Proceedings of the National Academy of Sciences of the United States of America
Publication Type :: Academic Journal
Accession number :: 6670088
Full Text :: https://doi.org/10.1073/pnas.032673399

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