ArticleInternational journal of molecular sciences2020
Monitoring the Site-Specific Solid-State NMR Data in Oligopeptides.
Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- The Physical Chemistry and Chemical Physics (PCCP) Section of theInternational journal of molecular sciences · 2021Article
- Modeling the Structure of Crystalline Alamethicin and Its NMR Chemical Shift Tensors.Antibiotics (Basel, Switzerland) · 2021Article
- Parametrizing the Spatial Dependence ofInternational journal of molecular sciences · 2020Article
- Polymorphic Forms of Valinomycin Investigated by NMR Crystallography.International journal of molecular sciences · 2020Article
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2 authors.
Funding
Abstract
Reliable values of the solid-state NMR (SSNMR) parameters together with precise structural data specific for a given amino acid site in an oligopeptide are needed for the proper interpretation of measurements aiming at an understanding of oligopeptides' function. The periodic density functional theory (DFT)-based computations of geometries and SSNMR chemical shielding tensors (CSTs) of solids are shown to be accurate enough to support the SSNMR investigations of suitably chosen models of oriented samples of oligopeptides. This finding is based on a thorough comparison between the DFT and experimental data for a set of tripeptides with both
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