414 related articles for article (PubMed ID: 20825228)
1. Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly.
Aliev AE; Courtier-Murias D
J Phys Chem B; 2010 Sep; 114(38):12358-75. PubMed ID: 20825228
[TBL] [Abstract][Full Text] [Related]
2. Beta VI turns in peptides and proteins: a model peptide mimicry.
Müller G; Gurrath M; Kurz M; Kessler H
Proteins; 1993 Mar; 15(3):235-51. PubMed ID: 8456095
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. The pseudo-beta I-turn. A new structural motif with a cis peptide bond in cyclic hexapeptides.
Kessler H; Matter H; Gemmecker G; Diehl HJ; Isernia C; Mronga S
Int J Pept Protein Res; 1994 Jan; 43(1):47-61. PubMed ID: 8138351
[TBL] [Abstract][Full Text] [Related]
5. Dynamical studies of peptide motifs in the Plasmodium falciparum circumsporozoite surface protein by restrained and unrestrained MD simulations.
Nanzer AP; Torda AE; Bisang C; Weber C; Robinson JA; van Gunsteren WF
J Mol Biol; 1997 Apr; 267(4):1012-25. PubMed ID: 9135127
[TBL] [Abstract][Full Text] [Related]
6. 1H- and 13C-NMR investigations on cis-trans isomerization of proline peptide bonds and conformation of aromatic side chains in H-Trp-(Pro)n-Tyr-OH peptides.
Poznański J; Ejchart A; Wierzchowski KL; Ciurak M
Biopolymers; 1993 May; 33(5):781-95. PubMed ID: 8393714
[TBL] [Abstract][Full Text] [Related]
7. Combined use of molecular dynamics simulations and NMR to explore peptide bond isomerization and multiple intramolecular hydrogen-bonding possibilities in a cyclic pentapeptide, cyclo(Gly-Pro-D-Phe-Gly-Val).
Liu ZP; Gierasch LM
Biopolymers; 1992 Dec; 32(12):1727-39. PubMed ID: 1472655
[TBL] [Abstract][Full Text] [Related]
8. Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water.
Mohanty D; Elber R; Thirumalai D; Beglov D; Roux B
J Mol Biol; 1997 Sep; 272(3):423-42. PubMed ID: 9325101
[TBL] [Abstract][Full Text] [Related]
9. Stereochemical punctuation marks in protein structures: glycine and proline containing helix stop signals.
Gunasekaran K; Nagarajaram HA; Ramakrishnan C; Balaram P
J Mol Biol; 1998 Feb; 275(5):917-32. PubMed ID: 9480777
[TBL] [Abstract][Full Text] [Related]
10. Accuracy and precision of NMR relaxation experiments and MD simulations for characterizing protein dynamics.
Philippopoulos M; Mandel AM; Palmer AG; Lim C
Proteins; 1997 Aug; 28(4):481-93. PubMed ID: 9261865
[TBL] [Abstract][Full Text] [Related]
11. Cyclic pentapeptides as models for reverse turns: determination of the equilibrium distribution between type I and type II conformations of Pro-Asn and Pro-Ala beta-turns.
Stradley SJ; Rizo J; Bruch MD; Stroup AN; Gierasch LM
Biopolymers; 1990 Jan; 29(1):263-87. PubMed ID: 2328290
[TBL] [Abstract][Full Text] [Related]
12. Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field.
Lin FY; Huang J; Pandey P; Rupakheti C; Li J; Roux BT; MacKerell AD
J Chem Theory Comput; 2020 May; 16(5):3221-3239. PubMed ID: 32282198
[TBL] [Abstract][Full Text] [Related]
13. Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments.
Koder Hamid M; Månsson LK; Meklesh V; Persson P; Skepö M
Front Mol Biosci; 2022; 9():958175. PubMed ID: 36387274
[TBL] [Abstract][Full Text] [Related]
14. Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2.
Lohachova KO; Kyrychenko A; Kalugin ON
Biophys Chem; 2024 Aug; 311():107258. PubMed ID: 38776839
[TBL] [Abstract][Full Text] [Related]
15. Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions.
van der Spoel D; van Buuren AR; Tieleman DP; Berendsen HJ
J Biomol NMR; 1996 Oct; 8(3):229-38. PubMed ID: 8953214
[TBL] [Abstract][Full Text] [Related]
16. Optimal transport technique to understand peptide conformations.
Kannan V; Anishetty R; Hassan SR
Comput Biol Chem; 2022 Jun; 98():107684. PubMed ID: 35490497
[TBL] [Abstract][Full Text] [Related]
17. 13C multiplet nuclear magnetic resonance relaxation-derived ring puckering and backbone dynamics in proline-containing glycine-based peptides.
Mikhailov D; Daragan VA; Mayo KH
Biophys J; 1995 Apr; 68(4):1540-50. PubMed ID: 7787039
[TBL] [Abstract][Full Text] [Related]
18. Role of hydrophobicity and solvent-mediated charge-charge interactions in stabilizing alpha-helices.
Vila JA; Ripoll DR; Villegas ME; Vorobjev YN; Scheraga HA
Biophys J; 1998 Dec; 75(6):2637-46. PubMed ID: 9826588
[TBL] [Abstract][Full Text] [Related]
19. Benchmarking implicit solvent folding simulations of the amyloid beta(10-35) fragment.
Kent A; Jha AK; Fitzgerald JE; Freed KF
J Phys Chem B; 2008 May; 112(19):6175-86. PubMed ID: 18348560
[TBL] [Abstract][Full Text] [Related]
20. Structural and dynamical characteristics of peptoid oligomers with achiral aliphatic side chains studied by molecular dynamics simulation.
Park SH; Szleifer I
J Phys Chem B; 2011 Sep; 115(37):10967-75. PubMed ID: 21819112
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
