138 related articles for article (PubMed ID: 19530112)
1. The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applications.
Hendrickx PM; Corzana F; Depraetere S; Tourwé DA; Augustyns K; Martins JC
J Comput Chem; 2010 Feb; 31(3):561-72. PubMed ID: 19530112
[TBL] [Abstract][Full Text] [Related]
2. Molecular dynamics with weighted time-averaged restraints for a DNA octamer. Dynamic interpretation of nuclear magnetic resonance data.
Schmitz U; Ulyanov NB; Kumar A; James TL
J Mol Biol; 1993 Nov; 234(2):373-89. PubMed ID: 8230221
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Structures in solutions from joint experimental-computational analysis: applications to cyclic molecules and studies of noncovalent interactions.
Aliev AE; Mia ZA; Khaneja HS; King FD
J Phys Chem A; 2012 Jan; 116(3):1093-109. PubMed ID: 22204632
[TBL] [Abstract][Full Text] [Related]
5. Interpreting experimental data by using molecular simulation instead of model building.
Gattin Z; Schwartz J; Mathad RI; Jaun B; van Gunsteren WF
Chemistry; 2009 Jun; 15(26):6389-98. PubMed ID: 19462385
[TBL] [Abstract][Full Text] [Related]
6. A conformational dynamics study of alpha-l-Rhap-(1-->2)[alpha-l-Rhap-(1-->3)]-alpha-l-Rhap-OMe in solution by NMR experiments and molecular simulations.
Eklund R; Lycknert K; Söderman P; Widmalm G
J Phys Chem B; 2005 Oct; 109(42):19936-45. PubMed ID: 16853578
[TBL] [Abstract][Full Text] [Related]
7. Conformational sampling by NMR solution structures calculated with the program DIANA evaluated by comparison with long-time molecular dynamics calculations in explicit water.
Berndt KD; Güntert P; Wüthrich K
Proteins; 1996 Mar; 24(3):304-13. PubMed ID: 8778777
[TBL] [Abstract][Full Text] [Related]
8. The solution conformations of ferrichrome and deferriferrichrome determined by 1H-NMR spectroscopy and computational modeling.
Constantine KL; De Marco A; Madrid M; Brooks CL; Llinás M
Biopolymers; 1990; 30(3-4):239-56. PubMed ID: 2279065
[TBL] [Abstract][Full Text] [Related]
9. HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulations.
Fulle S; Christ NA; Kestner E; Gohlke H
J Chem Inf Model; 2010 Aug; 50(8):1489-501. PubMed ID: 20726603
[TBL] [Abstract][Full Text] [Related]
10. Conformations of the iduronate ring in short heparin fragments described by time-averaged distance restrained molecular dynamics.
Muñoz-García JC; Corzana F; de Paz JL; Angulo J; Nieto PM
Glycobiology; 2013 Nov; 23(11):1220-9. PubMed ID: 23903025
[TBL] [Abstract][Full Text] [Related]
11. Lagrangian molecular dynamics using selected conformational degrees of freedom, with application to the pseudorotation dynamics of furanose rings.
Rudnicki WR; Lesyng B; Harvey SC
Biopolymers; 1994 Mar; 34(3):383-92. PubMed ID: 8161710
[TBL] [Abstract][Full Text] [Related]
12. Conformational properties of penicillins: quantum chemical calculations and molecular dynamics simulations of benzylpenicillin.
Díaz N; Suárez D; Sordo TL
J Comput Chem; 2003 Nov; 24(15):1864-73. PubMed ID: 14515369
[TBL] [Abstract][Full Text] [Related]
13. A combined nuclear magnetic resonance and molecular dynamics study of the two structural motifs for mixed-linkage beta-glucans: methyl beta-cellobioside and methyl beta-laminarabioside.
Christensen NJ; Hansen PI; Larsen FH; Folkerman T; Motawia MS; Engelsen SB
Carbohydr Res; 2010 Feb; 345(4):474-86. PubMed ID: 20079487
[TBL] [Abstract][Full Text] [Related]
14. Structure and dynamics of the ApA, ApC, CpA, and CpC RNA dinucleoside monophosphates resolved with NMR scalar spin-spin couplings.
Vokácová Z; Budĕsínský M; Rosenberg I; Schneider B; Sponer J; Sychrovský V
J Phys Chem B; 2009 Jan; 113(4):1182-91. PubMed ID: 19128019
[TBL] [Abstract][Full Text] [Related]
15. Conformational behavior of nucleotide-sugar in solution: molecular dynamics and NMR study of solvated uridine diphosphate-glucose in the presence of monovalent cations.
Petrová P; Monteiro C; Hervé du Penhoat C; Koca J; Imberty A
Biopolymers; 2001 Jun; 58(7):617-35. PubMed ID: 11285558
[TBL] [Abstract][Full Text] [Related]
16. Conformational properties of oxytocin in dimethyl sulfoxide solution: NMR and restrained molecular dynamics studies.
Bhaskaran R; Chuang LC; Yu C
Biopolymers; 1992 Dec; 32(12):1599-608. PubMed ID: 1472646
[TBL] [Abstract][Full Text] [Related]
17. What is the conformation of physiologically-active dinucleoside polyphosphates in solution? Conformational analysis of free dinucleoside polyphosphates by NMR and molecular dynamics simulations.
Stern N; Major DT; Gottlieb HE; Weizman D; Fischer B
Org Biomol Chem; 2010 Oct; 8(20):4637-52. PubMed ID: 20714505
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Molecular conformations in a phospholipid bilayer extracted from dipolar couplings: a computer simulation study.
Thaning J; Högberg CJ; Stevensson B; Lyubartsev AP; Maliniak A
J Phys Chem B; 2007 Dec; 111(48):13638-44. PubMed ID: 17997541
[TBL] [Abstract][Full Text] [Related]
20. Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Gyi JI; Lane AN; Conn GL; Brown T
Biochemistry; 1998 Jan; 37(1):73-80. PubMed ID: 9425027
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]