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Modeling Peptide Nucleic Acid Binding Enthalpies Using MM-GBSA

[Image: see text] The binding enthalpies of peptide nucleic acid (PNA) homoduplexes were predicted using a molecular mechanics generalized Born surface area approach. Using the nucleic acid nearest-neighbor model, these were decomposed into sequence parameters which could replicate the enthalpies fr...

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Detalles Bibliográficos
Autores principales: Goodman, Jack, Attwood, David, Kiely, Janice, Coladas Mato, Pablo, Luxton, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9706560/
https://www.ncbi.nlm.nih.gov/pubmed/36375178
http://dx.doi.org/10.1021/acs.jpcb.2c05547