Accurate and Rapid Calculation of the Hydrogen Bond Strengths and Hydrogen Bonding Potential Energy Curves for the Hydrogen-Bonded Complexes Containing Peptide Amides and/or Nucleic Acid Bases

作者：Huang Cuiying; Li Yang; Wang Changsheng^*

来源：Progress in Chemistry, 2012, 24(6): 1214-1226.

• protein peptide
• nucleic acid bases
• dipole-dipole interaction
• hydrogen bond strength
• hydrogen bonding potential energy curve
• binding energy

N-H center dot center dot center dot center dot O=C, C-H center dot center dot center dot center dot O=C, N-H center dot center dot center dot center dot N and C-H center dot center dot center dot center dot N hydrogen bonds are the main factors for the formation of protein alpha-helices and beta-sheets and for the formation of the double helices of the deoxyribonucleic acid. These hydrogen bonds also play important roles in the processes of the protein-nucleic acid recognition, in the processes of the protein replication, and in the processes of transcription and expression of genetic information from DNA to protein. Accurate and rapid determination of the strengths of the hydrogen bonds and their dynamic properties in DNA and protein systems is very important for correctly simulating and therefore deeply understanding the mechanism of protein folding processes and the formation mechanism of the double helices of the deoxyribonucleic acid and for designing new biomolecular materials possessing special function. In this review, a dipole-dipole hydrogen bonding model and its applications to the hydrogen-bonded complexes containing peptide amides and/or nucleic acid bases are introduced.

• 出版日期2012-6-24
• 单位辽宁师范大学