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Protocol
Enhanced Molecular Dynamics Simulations of Intrinsically Disordered Proteins
Molecular dynamics simulations represent a powerful tool to gain insights into structural and dynamical features of biomolecular systems. Nevertheless, their recognized limitation in terms of achievable timesc...
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Article
Open AccessComparing state-of-the-art approaches to back-calculate SAXS spectra from atomistic molecular dynamics simulations
Small-angle X-ray scattering (SAXS) experiments are arising as an effective instrument in the structural characterization of biomolecules in solution. However, they suffer from limited resolution, and compleme...
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Chapter
Molecular Dynamics Simulations of Chemically Modified Ribonucleotides
Post-transcriptional modifications are crucial for RNA function, with roles ranging from the stabilization of functional RNA structures to modulation of RNA–protein interactions. Additionally, artificially mod...
