Assessing the effect of conformational averaging on the measured values of observables

scientific article published on 01 April 2001

Assessing the effect of conformational averaging on the measured values of observables is …
instance of (P31):
scholarly articleQ13442814

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P6179Dimensions Publication ID1023385934
P356DOI10.1023/A:1011295422203
P2888exact matchhttps://scigraph.springernature.com/pub.10.1023/a:1011295422203
P698PubMed publication ID11370777

P2093author name stringW F van Gunsteren
R Bürgi
J Pitera
P2860cites workDynamics of folded proteinsQ28287584
Folding study of an Aib-rich peptide in DMSO by molecular dynamics simulationsQ31902944
On the similarity of properties in solution or in the crystalline state: a molecular dynamics study of hen lysozymeQ33181386
Probing individual molecules with confocal fluorescence microscopyQ34326590
Conformation gating as a mechanism for enzyme specificityQ36255724
Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction dataQ36677293
Combined use of proton-proton overhauser enhancements and a distance geometry algorithm for determination of polypeptide conformations. Application to micelle-bound glucagonQ42244998
Time- and ensemble-averaged direct NOE restraintsQ47740762
Reversible peptide folding in solution by molecular dynamics simulationQ47812843
Stereospecific assignments of side-chain protons and characterization of torsion angles in Eglin c.Q52596725
On the nature of molecular conformations inferred from high-resolution NMR.Q52765259
Do NOE distances contain enough information to assess the relative populations of multi-conformer structures?Q52888394
The effect of motional averaging on the calculation of NMR-derived structural propertiesQ58616291
A Structural Model for the Kinetic Behavior of HemoglobinQ66950234
Structure of a complex between yeast hexokinase A and glucose. I. Structure determination and refinement at 3.5 A resolutionQ67236368
Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulationsQ74452346
P433issue4
P1104number of pages16
P304page(s)305-320
P577publication date2001-04-01
P1433published inJournal of Biomolecular NMRQ3186900
P1476titleAssessing the effect of conformational averaging on the measured values of observables
P478volume19

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cites work (P2860)
Q27650553A Coupled Equilibrium Shift Mechanism in Calmodulin-Mediated Signal Transduction
Q54537934A comparison of methods for calculating NMR cross-relaxation rates (NOESY and ROESY intensities) in small peptides.
Q38973999A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation.
Q33514507A method to explore protein side chain conformational variability using experimental data
Q34307221An improved structural characterisation of reduced French bean plastocyanin based on NMR data and local-elevation molecular dynamics simulation
Q36373046Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.
Q35590723Assessment of the role of computations in structural biology
Q34426339Binding of two intrinsically disordered peptides to a multi-specific protein: a combined Monte Carlo and molecular dynamics study
Q57970611Chapter 3 Applications of the NOE in Molecular Biology
Q58616212Circular dichroism spectra of β-peptides: sensitivity to molecular structure and effects of motional averaging
Q30881311Convergence in peptide folding simulation: Multiple trajectories of a potential AIDS pharmacophore
Q33696094Determination of ensemble-average pairwise root mean-square deviation from experimental B-factors.
Q30353311Ensemble-based interpretations of NMR structural data to describe protein internal dynamics.
Q30164860Folding of a highly conserved diverging turn motif from the SH3 domain
Q83231303Functional cross-talk between allosteric effects of activating and inhibiting ligands underlies PKM2 regulation
Q30965670Information content of long-range NMR data for the characterization of conformational heterogeneity.
Q33594517Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.
Q36569893Monomeric Aβ(1-40) and Aβ(1-42) Peptides in Solution Adopt Very Similar Ramachandran Map Distributions That Closely Resemble Random Coil
Q53944151Nascent structure in the kinase anchoring domain of microtubule-associated protein 2.
Q39123901Native-like mean structure in the unfolded ensemble of small proteins
Q43122417Residual structure in a peptide fragment of the outer membrane protein X under denaturing conditions: a molecular dynamics study
Q33962262Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing
Q30341956Site-specific labelling with a metal chelator for protein-structure refinement.
Q39410896Solution NMR study of the monomeric form of p13suc1 protein sheds light on the hinge region determining the affinity for a phosphorylated substrate
Q27639234Solution structure of the single-domain prolyl cis/trans isomerase PIN1At from Arabidopsis thaliana
Q38589790Structure and Dynamics of Intrinsically Disordered Proteins
Q27643551The MUMO (minimal under-restraining minimal over-restraining) method for the determination of native state ensembles of proteins
Q47701859Thermotoga maritima IscU. Structural characterization and dynamics of a new class of metallochaperone
Q41815171X-ray refinement significantly underestimates the level of microscopic heterogeneity in biomolecular crystals

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