This volume describes in detail the technique of molecular orbital calculations for biochemistry. The level of presentation will be accessible to biochemists, and biophysicists.
1 Theoretical Background.- 2 Theoretical Calculations on Small Amino Acids.- 3 Gamma-Aminobutyric Acid (GABA).- 4 The Diaminobutyric (DABA), Delta Aminopentanoic, and Epsilon Aminohexanoic Acids.- 5 Ab Initio Studies of Some Acids and Basic Amino Acids: Aspartic, Glutamic, Arginine, and Deaminoarginine.- 6 Proline.- 7 Taurine and Hypotaurine.- 8 Ab Initio Calculations Related to Glucagon.- 9 The Alpha Factor.- 10 Tight Turns in Proteins.- 11 Some Small Peptides.- 12 Oligopeptides That Are Anticancer Drugs.- Appendix Theoretical Studies of a Glucagon Fragment: Ser8-Asp9-Tyr10.
