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ProteomicsLigand-induced disorder-to-order transitions characterized by structural proteomics and molecular dynamics simulations
We have studied both the Spy and the FKBP protein-ligand systems by structural proteomics and molecular -dynamics simulations. We have used hydrogen/deuterium exchange, differential crosslinking, and surface modification to characterize the conformational changes that occur upon both peptide bindin...
ORGANISM(S): Escherichia coli 
2021-09-08 | PXD015275 | Pride
Structural proteomics  mass spectrometry  discrete molecular dynamics simulations  protein-ligand interaction  hydrogen/deuterium exchange  crosslinking/mass spectrometry  surface modification  conformational change  quantitative protein structure  intrinsically disordered protein  protein folding 
UnknownStability tests on known and misfolded structures with discrete and all atom molecular dynamics simulations.
Not available
S-EPMC3104411 | biostudies-literature
UnknownProbing protein aggregation using discrete molecular dynamics.
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S-EPMC2497428 | biostudies-literature
UnknownUnveiling Medin Folding and Dimerization Dynamics and Conformations via Atomistic Discrete Molecular Dynamics Simulations.
Not available
S-EPMC10752383 | biostudies-literature
UnknownMolecular insights into the oligomerization dynamics and conformations of amyloidogenic and non-amyloidogenic amylin from discrete molecular dynamics simulations.
Not available
S-EPMC9623603 | biostudies-literature
UnknownConformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations.
Not available
S-EPMC6453469 | biostudies-literature
UnknownAnalysis of the stabilities of hexameric amyloid-β(1-42) models using discrete molecular dynamics simulations.
Not available
S-EPMC3040446 | biostudies-literature
UnknownSolving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations.
Not available
S-EPMC5501500 | biostudies-literature
UnknownMolecular Insights into the Misfolding and Dimerization Dynamics of the Full-Length α-Synuclein from Atomistic Discrete Molecular Dynamics Simulations.
Not available
S-EPMC9797213 | biostudies-literature
UnknownStructure of prion β-oligomers as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations.
Not available
S-EPMC9285417 | biostudies-literature
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