Chapter 3. Quantum mechanical treatment of enzyme reactions

R. Langen, G.D. Brayer, A.M. Berghuis, G. McLendon, F. Sherman, A. Warshel, Effect of the Asn52 → Ile mutation on the redox potential of yeast cytochrome c: Theory and experiment Journal of Molecular Biology. ,vol. 224, pp. 589- 600 ,(1992) , 10.1016/0022-2836(92)90546-V

Jeehiun K. Lee, K. N. Houk, A proficient enzyme revisited: the predicted mechanism for orotidine monophosphate decarboxylase. Science. ,vol. 276, pp. 942- 945 ,(1997) , 10.1126/SCIENCE.276.5314.942

S.T. Russell, A. Warshel, Calculations of electrostatic energies in proteins: the energetics of ionized groups in bovine pancreatic trypsin inhibitor Journal of Molecular Biology. ,vol. 185, pp. 389- 404 ,(1985) , 10.1016/0022-2836(85)90411-5

M. Mahmoudian, A.H. Pakiari, S. Khademi, The mechanism of action and mode of inhibition of dihydroorotate dehydrogenase. A quantum chemical study. Biochemical Pharmacology. ,vol. 43, pp. 283- 287 ,(1992) , 10.1016/0006-2952(92)90289-U

John T. Groves, Artificial enzymes. The importance of being selective. Nature. ,vol. 389, pp. 329- 330 ,(1997) , 10.1038/38602

Ilkka Mononen, Krishna J. Fisher, Vesa Kaartinen, Nathan N. Aronson, Aspartylglycosaminuria: protein chemistry and molecular biology of the most common lysosomal storage disorder of glycoprotein degradation. The FASEB Journal. ,vol. 7, pp. 1247- 1256 ,(1993) , 10.1096/FASEBJ.7.13.8405810

Margareta R. A. Blomberg, Per E. M. Siegbahn, Stenbjörn Styring, Gerald T. Babcock, Björn Åkermark, Peter Korall, A Quantum Chemical Study of Hydrogen Abstraction from Manganese-Coordinated Water by a Tyrosyl Radical: A Model for Water Oxidation in Photosystem II Journal of the American Chemical Society. ,vol. 119, pp. 8285- 8292 ,(1997) , 10.1021/JA9642323

Stefan Schroeder, Valerie Daggett, Peter Kollman, A comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant to catalysis by serine proteases Journal of the American Chemical Society. ,vol. 113, pp. 8922- 8925 ,(1991) , 10.1021/JA00023A046

Jeremy R. Knowles, Enzyme catalysis: not different, just better. Nature. ,vol. 350, pp. 121- 124 ,(1991) , 10.1038/350121A0

On the three-dimensional structure and catalytic mechanism of triose phosphate isomerase Philosophical Transactions of the Royal Society B. ,vol. 293, pp. 159- 171 ,(1981) , 10.1098/RSTB.1981.0069