Structure and dynamics of two beta-peptides in solution from molecular dynamics simulations validated against experiment

scientific article published on 27 March 2008

Structure and dynamics of two beta-peptides in solution from molecular dynamics simulations validated against experiment is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1007/S00249-008-0307-Y
P2888exact matchhttps://scigraph.springernature.com/pub.10.1007/s00249-008-0307-y
P698PubMed publication ID18368403

P50authorWilfred F van GunsterenQ52153822
P2093author name stringZrinka Gattin
Bojan Zagrovic
Matthias Huber
Justin Kai-Chi Lau
P2860cites workA biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6Q29617517
Validation of the 53A6 GROMOS force fieldQ30986204
On the influence of charged side chains on the folding-unfolding equilibrium of beta-peptides: a molecular dynamics simulation studyQ31013230
beta-Peptides: from structure to functionQ34440559
Models of higher-order structure: foldamers and beyondQ34459881
Beyond de novo protein design--de novo design of non-natural folded oligomersQ35863932
Calibration of the angular dependence of the amide proton-C alpha proton coupling constants, 3JHN alpha, in a globular protein. Use of 3JHN alpha for identification of helical secondary structureQ39339655
The beta-peptide hairpin in solution: conformational study of a beta-hexapeptide in methanol by NMR spectroscopy and MD simulation.Q49310068
Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulationsQ74452346
P433issue6
P304page(s)903-912
P577publication date2008-03-27
P1433published inEuropean Biophysics JournalQ5412316
P1476titleStructure and dynamics of two beta-peptides in solution from molecular dynamics simulations validated against experiment
P478volume37

Reverse relations

cites work (P2860)
Q92469068Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix
Q33594517Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.
Q27334291Modeling conformational ensembles of slow functional motions in Pin1-WW
Q36889533Peptide crystal simulations reveal hidden dynamics
Q33484480Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemes

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