ArticleMolecules (Basel, Switzerland)2021
Stochastic Modelling of
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Differentiation of Plant and Animal-Derived Cholesterol Using irm-Magnetic resonance in chemistry : MRC · 2026Article
- Predicting NMR Relaxation Using a First-Principles Brownian Dynamics Approach.Journal of chemical theory and computation · 2026Article
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Authors and funding
3 authors.
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Abstract
A framework for the stochastic description of relaxation processes in flexible macromolecules including dissipative effects has been recently introduced, starting from an atomistic view, describing the joint relaxation of internal coordinates and global degrees of freedom, and depending on parameters recoverable from classic force fields (energetics) and medium modelling at the continuum level (friction tensors). The new approach provides a rational context for the interpretation of magnetic resonance relaxation experiments. In its simplest formulation, the semi-flexible Brownian (SFB) model has been until now shown to reproduce correctly correlation functions and spectral densities related to orientational properties obtained by direct molecular dynamics simulations of peptides. Here, for the first time, we applied directly the SFB approach to the practical evaluation of high-quality
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Registered trials
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