Ab initio study of the effect of side-chain reactions on the electronic structure of proteins
作者： A.K. Bakshi , J. Ladik
DOI: 10.1016/0009-2614(86)80209-3
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摘要: Abstract The effect of side-chain protonation and tautomerization histidine on the electronic structure proteins is investigated. Ab initio band results for protonated polyhistidine, polyhistidine in both tautomeric forms, polyglycine polyalanine are reported. density states corresponding composite aperiodic polypeptides studied using simple negative factor counting method. It shown how these reactions reduce fundamental gap proteins, thereby modifying their conduction properties.
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David L. Beveridge, Issam Jano, Janos Ladik, INDO and MINDO/2 Crystal Orbital Study of Polyacetylene, Polyethylene, and Polyglycine The Journal of Chemical Physics. ,vol. 56, pp. 4744- 4751 ,(1972) , 10.1063/1.1676947
M.G. Evans, J. Gergely, A discussion of the possibility of bands of energy levels in proteins electronic interaction in non bonded systems Biochimica et Biophysica Acta. ,vol. 3, pp. 188- 197 ,(1949) , 10.1016/0006-3002(49)90091-8
J. LADIK, Energy Band Structure of Proteins Nature. ,vol. 202, pp. 1208- 1209 ,(1964) , 10.1038/2021208A0
P. DEAN, The Vibrational Properties of Disordered Systems: Numerical Studies Reviews of Modern Physics. ,vol. 44, pp. 127- 168 ,(1972) , 10.1103/REVMODPHYS.44.127
Albert Szent-Györgyi, Electronic biology and its relation to cancer Life Sciences. ,vol. 15, pp. 863- 875 ,(1974) , 10.1016/0024-3205(74)90003-4
R.S. Day, S. Suhai, J. Ladik, Electronic structure in large finite aperiodic polypeptide chains Chemical Physics. ,vol. 62, pp. 165- 169 ,(1981) , 10.1016/0301-0104(81)80195-4
Hiroko Fujita, Akira Imamura, Electronic Structures of Polymers Using the Tight‐Binding Approximation. II. Polyethylene and Polyglycine by the CNDO Method The Journal of Chemical Physics. ,vol. 53, pp. 4555- 4566 ,(1970) , 10.1063/1.1673987
M. Seel, Electronic spectra of aperiodic protein model chains Chemical Physics. ,vol. 43, pp. 103- 109 ,(1979) , 10.1016/0301-0104(79)80109-3
C. T. O'Konski, M. Shirai, Electric properties of macromolecules. X. Conduction and the question of ferroelectricity in solid sodium deoxyribonucleate Biopolymers. ,vol. 1, pp. 557- 562 ,(1963) , 10.1002/BIP.360010606
D. D. Eley, D. I. Spivey, The semiconductivity of organic substances. Part 6.—A range of proteins Transactions of The Faraday Society. ,vol. 56, pp. 1432- 1442 ,(1960) , 10.1039/TF9605601432