Molecular mechanisms for proton transfer in alpha-helical proteins

Abstract

Likely mechanisms for proton transfer in alpha-helical proteins are explored. The fundamental structural element is assumed to be continuous chains of hydrogen bonds formed from the peptide groups and a molecular example is presented. Using the PM3 semi-empirical molecular orbital method, the authors study the potential energy surfaces for the proton transfer processes in such systems. The results obtained can be used to explain some basic transport phenomena in biological systems.