Energy levels and quantum states of [Leu]enkephalin conformations based on theoretical and experimental investigations

Journal of Physics Condensed Matter

Volumn 15, Issue 18, 2003, Pages

  Abdali, Salim ^a   Jensen, Morten Ø ^a   Bohr, Henrik ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

NEUROTRANSMITTERS;

POLYPEPTIDES;

EID: 0037621436     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/15/18/316     Document Type: Conference Paper

References (32)

1. Hughes J, Smith T W, Kosterlitz H W, Fothergill L A, Morgan B A and Morris H R 1975 Nature 258 577
2. Simanov R and Snyder S H 1976 Life Sci. 18 781
3. Isogai T, Kenmoysu M, Mino Y, Inoue M, Fujiwara T, Tomita K and Sakakibara S 1984 Biochem. J. 218 677
4. van der Spoel D and Berendsen H J C 1997 Biophys. J. 72 2032
5. DeCoen J L, Humblet C and Koch M H J 1977 FEBS Lett. 73 38
6. Humblet S and DeCoen J L 1977 Peptides: Proc. 5th American Peptide Symp. ed M Goodman and J Meienhofer (New York: Wiley) p 88
7. Premilat S and Maigret B 1979 Biochem. Biophys. Res. Commun. 91 534
8. Premilat S and Maigret B 1980 J. Phys. Chem. 84 293
9. Schiller P W 1984 Peptides: Analysis, Synthesis, Biology, vol 6, ed S Udenfriend and J Meienhofer (New York: Academic) p 219
10. Smith G D and Griffin J F 1978 Science 199 1214
11. Blundell I L, Hearn L, Tickle I J, Palmer R A, Morgan B A, Smith G D and Griffin J F 1979 Science 205 220
12. Karle I L, Karle J, Mastropaolo D, Camerman A and Camerman N 1983 Acta Crystallogr. B 39 625
13. Ishida T, Kenmoysu M, Mino Y, Inoue M, Fujiwara T, Tomita K, Kimura T and Sakakibara S 1984 Biochem. J. 218 677
14. Bleich H E, Cutnell J D, Day A R, Freer R J, Glasel J A and Mckelvy J F 1976 Proc. Natl Acad Sci. USA 73 2589
15. Stimson E R, Meinwald Y C and Scheraga H A 1979 Biochemistry 18 1661
16. Marion D, Garbay-Jaureguiberry C and Roques B P 1981 Biochem. Biophys. Res. Commun. 101 711
17. Khaled M A, Urry D W and Bradley R J 1979 J. Chem. Soc. London 1693
18. Nafie L A, Prasad P L, Khouri H and Doorly E 1979 Polym. Preprints 20 85
19. Han S L, Stimson E R, Maxfield F R and Scheraga H A 1980 Int. J. Pept. Prot. Res. 16 173
20. Abdali S, Refstrup P, Faurskov Nielsen O and Bohr H 2002 Biospectroscopy at press
21. Ansani A, Berendzen J, Bowne S F, Frauenfelder H, I E, Iben T, Sauke T B, Shyamsunder E and Young R D 1985 Proc. Natl Acad Sci. USA 82 5000
22. Renugopalakrishnan V, Rapaka R S, Collete T W, Carriera L A and Bhatnagar R S 1985 Biochem. Biophys. Res. Commun. 128 1029
23. Abdali S, Niehaus T A, Jalkanen K J, Cao X, Nafie L A, Frauenheim Th, Suhai S and Bohr H 2003 Phys. Chem. Chem. Phys. 5 1295 Jalkanen K J 2003 J. Phys.: Condens. Matter 15 S1823
24. Abdali S, Niehaus T A, Jalkanen K J, Cao X, Nafie L A, Frauenheim Th, Suhai S and Bohr H 2003 Phys. Chem. Chem. Phys. 5 1295 Jalkanen K J 2003 J. Phys.: Condens. Matter 15 S1823
25. Griffin J F, Langs D A, Smith G D, Blundell T L, Tickle I J and Bedarkar S 1986 Proc. Natl Acad. Sci. USA 83 3272
26. Aubry A, Birlirakis N, Sakarellos-Daitsiotis M, Sakarellos C and Marraud M 1989 Biopolymers 28 27
27. Kale L, Skeel R, Bhandarkar M, Brunner R, Gursoy A, Krawetz N, Phillips J and Schulten K 1999 J. Comput. Phys. 151 283
28. Jorgensen W L, Chandrasekhar J, Medura J D, Impey R W and Klein M L 1983 J. Chem. Phys. 79 926
29. MacKerell A D Jr, Bashford D, Bellott M, Dunbrack R L Jr, Evanseck J D, Field M J, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau F T K, Mattos C, Michnick S, Ngo T, Nguyen D T, Prodhom B, Reiher W E III, Roux B, Schlenkrich M, Smith J C, Stote R, Straub J, Watanabe M, Wiorkiewicz-Kuczera J, Yin D and Karplus M 1998 J. Phys. Chem. B 102 3586
30. Darden T, York D and Pedersen L 1993 J. Phys. Chem. 98 10089
31. Humphrey W, Dalke A and Schulten K 1996 J. Mol. Graph. 14 33
32. Jalkanen et al in preparation