TY - GEN AU - Zhang,Xiyun AU - DeChancie,Jason AU - Gunaydin,Hakan AU - Chowdry,Arnab B AU - Clemente,Fernando R AU - Smith,Adam J T AU - Handel,T M AU - Houk,K N TI - Quantum mechanical design of enzyme active sites SN - 0022-3263 PY - 2008///0403 KW - Acrolein KW - chemistry KW - Aldehydes KW - Binding Sites KW - Catalysis KW - Cocaine KW - Enzyme Activation KW - Enzymes KW - Hydrolysis KW - Isomerism KW - Models, Molecular KW - Molecular Structure KW - Naphthols KW - Nitrophenols KW - Peptides KW - Proline KW - Quantum Theory KW - Sarin KW - Substrate Specificity KW - Water N1 - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S UR - https://doi.org/10.1021/jo701974n ER -