Long-range electron transfer across peptide chains with different secondary structures

Abstract

Long-range electron transfer (ET) across peptide chains with different secondary structures in pa-(gly)n=0-6-aa (pa = C6H4(CO)2N-(CH2CO), gly = glycine, aa = HNCH2COOCH3) ionic molecules has been explored by computational studies of ET matrix element, reorganization energy and rate constant using two-state variational method (TSVM) and classical rate model. For comparison, electron correlation effects are examined in the studies. Calculated results are then used to elucidate ET reaction mechanisms. © 2007 Elsevier B.V. All rights reserved.