Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins

[Image: see text] We developed a novel force field in the context of AMBER parameterization for glutamate and aspartate zinc(II)-binding residues. The interaction between the zinc ion and the coordinating atoms is represented by a spherical nonbonded parameterization. The polarization effect due to...

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Detalles Bibliográficos
Autores principales: Macchiagodena, Marina, Pagliai, Marco, Andreini, Claudia, Rosato, Antonio, Procacci, Piero
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7331063/
https://www.ncbi.nlm.nih.gov/pubmed/32637803
http://dx.doi.org/10.1021/acsomega.0c01337

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7331063/
https://www.ncbi.nlm.nih.gov/pubmed/32637803
http://dx.doi.org/10.1021/acsomega.0c01337

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