Structures Controlled by Entropy: The Flexibility of Strychnine as Example

To study the flexibility of strychnine, we performed molecular dynamics simulations with orientational tensorial constraints (MDOC). Tensorial constraints are derived from nuclear magnetic resonance (NMR) interaction tensors, for instance, from residual dipolar couplings (RDCs). Used as orientationa...

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Detalles Bibliográficos
Autores principales: Sternberg, Ulrich, Witter, Raiker
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9692940/
https://www.ncbi.nlm.nih.gov/pubmed/36432085
http://dx.doi.org/10.3390/molecules27227987

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9692940/
https://www.ncbi.nlm.nih.gov/pubmed/36432085
http://dx.doi.org/10.3390/molecules27227987

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