Conformational heterogeneity of UCAAUC RNA oligonucleotide from molecular dynamics simulations, SAXS, and NMR experiments

Conformational heterogeneity of UCAAUC RNA oligonucleotide from molecular dynamics simulations, SAXS, and NMR experiments

We describe the conformational ensemble of the single-stranded r(UCAAUC) oligonucleotide obtained using extensive molecular dynamics (MD) simulations and Rosetta's FARFAR2 algorithm. The conformations observed in MD consist of A-form-like structures and variations thereof. These structures are...

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Bibliographic Details
Main Authors: Bergonzo, C. (Author), Bottaro, S. (Author), Grishaev, A. (Author)
Format: Article
Language:English
Published: Cold Spring Harbor Laboratory Press 2022
Subjects:
integrative structural biology
Magnetic Resonance Spectroscopy
molecular dynamics
Molecular Dynamics Simulation
NMR
nuclear magnetic resonance spectroscopy
oligonucleotide
Oligonucleotides
protein conformation
Protein Conformation
RNA
SAXS
Scattering, Small Angle
small angle scattering
X ray diffraction
X-Ray Diffraction
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