Intramolecular interactions and cis peptidic bonds

Theoretical Chemistry Accounts

Volumn 118, Issue 1, 2007, Pages 165-171

  Loos, Pierre François ^a   Assfeld, Xavier ^a   Rivail, Jean Louis ^a  

^a NANCY UNIVERSITÉ   (France)

Author keywords

Alpha helix; Beta sheet; Cis peptidic bond; QM MM

Indexed keywords

EID: 34547287693     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0258-x     Document Type: Article

References (22)

1. Rivail J-L, Bouchy A, Loos P-F (2007) J Arg Chem Soc (in press)
2. Sawaya MR, Kraut J (1997) Biochemistry 36:586
3. Jabs A, Weiss MS, Hilgenfeld (1999) J Mol Biol 286:291 (review paper)
4. E Svensson A-K, O'Neill Jr JC, Matthews CR (2003) J Mol Biol 326:569
5. Zimmerman SS, Scheraga HA (1976) Macromolecules 9:408
6. Jorgensen WL, Gao J (1988) J Am Chem Soc 110:4212
7. Poteau R, Trinquier G (2005) J Am Chem Soc 127:13875
8. Enriz RD, Morales ME, Baldoni HA, (2005) J Mol Struct Theochem 731:177
9. Assfeld X, Rivail J-L (1996) Chem Phys Lett 263:100
10. Ferré N, Assfeld X, Rivail J-L (2002) J Comput Chem 23:610
11. Ferré N, Assfeld X (2002) J Chem Phys 117:4119
12. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery Jr JA, Vreven T, Kudin KM, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox D.T, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, Revision B.05, Gaussian, Inc., Wallingford
13. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
14. Becke AD (1993) J Chem Phys 98:5648
15. Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz Jr KM., Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA, (1995) J Am Chem Soc 117:5179
16. Wang J, Cieplak P, Kollman PA (2000) J Comput Chem 21:1049
17. Li H, Robertson AD, Jensen JH, (2005) Proteins 61:704
18. Assfeld X, Ferré N, Rivail J-L (2004) Theor Chem Acc 11:328
19. Rinaldi D, Bouchy A, Rivail J-L, Dillet V (2004) J Chem Phys 120:2343
20. Rinaldi D, Bouchy A, Rivail J-L (2006) Theor Chem Acc 116:664
21. Mayer I (1983) Chem Phys Lett 97:270
22. Mo Y, Schleyer PvR, Wu W, Lin M, Zhang Q, Gao J (2003) J Phys Chem A 107:10011