129 related articles for article (PubMed ID: 10738203)
1. Ab initio prediction of the solution structures and populations of a cyclic pentapeptide in DMSO based on an implicit solvation model.
Baysal C; Meirovitch H
Biopolymers; 2000 Apr; 53(5):423-33. PubMed ID: 10738203
[TBL] [Abstract][Full Text] [Related]
2. On the transferability of atomic solvation parameters: Ab initio structural prediction of cyclic heptapeptides in DMSO.
Baysal C; Meirovitch H
Biopolymers; 2000 Nov; 54(6):416-28. PubMed ID: 10951328
[TBL] [Abstract][Full Text] [Related]
3. Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR data.
Baysal C; Meirovitch H
Biopolymers; 1999 Sep; 50(3):329-44. PubMed ID: 10397793
[TBL] [Abstract][Full Text] [Related]
4. Solvation parameters for predicting the structure of surface loops in proteins: transferability and entropic effects.
Das B; Meirovitch H
Proteins; 2003 May; 51(3):470-83. PubMed ID: 12696057
[TBL] [Abstract][Full Text] [Related]
5. Determination of conformational equilibrium of peptides in solution by NMR spectroscopy and theoretical conformational analysis: application to the calibration of mean-field solvation models.
Groth M; Malicka J; Rodziewicz- Motowidło S; Czaplewski C; Klaudel L; Wiczk W; Liwo A
Biopolymers; 2001; 60(2):79-95. PubMed ID: 11455544
[TBL] [Abstract][Full Text] [Related]
6. Conformational templates for rational drug design: flexibility of cyclo(D-Pro1-Ala2-Ala3-Ala4-Ala5) in DMSO solution.
Zhang X; Nikiforovich GV; Marshall GR
J Med Chem; 2007 Jun; 50(12):2921-5. PubMed ID: 17497764
[TBL] [Abstract][Full Text] [Related]
7. Conformational preference and potential templates of N-methylated cyclic pentaalanine peptides.
Chatterjee J; Mierke DF; Kessler H
Chemistry; 2008; 14(5):1508-17. PubMed ID: 18080261
[TBL] [Abstract][Full Text] [Related]
8. Predicting the conformational states of cyclic tetrapeptides.
Loiseau N; Gomis JM; Santolini J; Delaforge M; André F
Biopolymers; 2003 Jul; 69(3):363-85. PubMed ID: 12833263
[TBL] [Abstract][Full Text] [Related]
9. The SAAP force field. A simple approach to a new all-atom protein force field by using single amino acid potential (SAAP) functions in various solvents.
Iwaoka M; Tomoda S
J Comput Chem; 2003 Jul; 24(10):1192-200. PubMed ID: 12820126
[TBL] [Abstract][Full Text] [Related]
10. The conformation of cyclo(-D-Pro-Ala4-) as a model for cyclic pentapeptides of the DL4 type.
Heller M; Sukopp M; Tsomaia N; John M; Mierke DF; Reif B; Kessler H
J Am Chem Soc; 2006 Oct; 128(42):13806-14. PubMed ID: 17044709
[TBL] [Abstract][Full Text] [Related]
11. Absolute solvation free energy of Li+ and Na+ ions in dimethyl sulfoxide solution: a theoretical ab initio and cluster-continuum model study.
Westphal E; Pliego JR
J Chem Phys; 2005 Aug; 123(7):074508. PubMed ID: 16229602
[TBL] [Abstract][Full Text] [Related]
12. Rational design of ion force fields based on thermodynamic solvation properties.
Horinek D; Mamatkulov SI; Netz RR
J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
[TBL] [Abstract][Full Text] [Related]
13. Conformational behaviour of a cyclolinopeptide A analogue: two-dimensional NMR study of cyclo(Pro1-Pro-Phe-Phe-Ac6c-Ile-ala-Val8).
Mazzeo M; Isernia C; Rossi F; Saviano M; Pedone C; Paolillo L; Benedetti E; Pavone V
J Pept Sci; 1995; 1(5):330-40. PubMed ID: 9223012
[TBL] [Abstract][Full Text] [Related]
14. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
Arnautova YA; Jagielska A; Scheraga HA
J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
[TBL] [Abstract][Full Text] [Related]
15. Combined use of homo- and heteronuclear coupling constants as restraints in molecular dynamics simulations.
Mierke DF; Kessler H
Biopolymers; 1992 Oct; 32(10):1277-82. PubMed ID: 1420958
[TBL] [Abstract][Full Text] [Related]
16. Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model.
Felts AK; Harano Y; Gallicchio E; Levy RM
Proteins; 2004 Aug; 56(2):310-21. PubMed ID: 15211514
[TBL] [Abstract][Full Text] [Related]
17. Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.
Rudner MS; Jeremic S; Petterson KA; Kent DR; Brown KA; Drake MD; Goddard WA; Roberts JD
J Phys Chem A; 2005 Oct; 109(40):9076-82. PubMed ID: 16332014
[TBL] [Abstract][Full Text] [Related]
18. Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations.
Troganis AN; Sicilia E; Barbarossou K; Gerothanassis IP; Russo N
J Phys Chem A; 2005 Dec; 109(51):11878-84. PubMed ID: 16366639
[TBL] [Abstract][Full Text] [Related]
19. Free energy landscape of protein folding in water: explicit vs. implicit solvent.
Zhou R
Proteins; 2003 Nov; 53(2):148-61. PubMed ID: 14517967
[TBL] [Abstract][Full Text] [Related]
20. Determination of sugar structures in solution from residual dipolar coupling constants: methodology and application to methyl beta-D-xylopyranoside.
Pham TN; Hinchley SL; Rankin DW; Liptaj T; Uhrín D
J Am Chem Soc; 2004 Oct; 126(40):13100-10. PubMed ID: 15469309
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
