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Effect of some factors on the energy band structure of proteins
Author(s) -
Yi Xiao,
RunSheng Chen
Publication year - 1985
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560280504
Subject(s) - cndo/2 , side chain , chemistry , electronic band structure , chemical physics , ion , conduction band , computational chemistry , crystallography , molecule , condensed matter physics , physics , organic chemistry , quantum mechanics , electron , polymer
The effects of four factors (different side chains, side‐chain disorder, conformational change, and ions and water) on the energy band structures of proteins have been investigated with the aid of the CNDO/2 crystal orbital method. The results indicate that these factors are very important. The consequences of these effects on the semiconductive properties of proteins are discussed.