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Assessing Peptide Binding to MHC II: An Accurate Semiempirical Quantum Mechanics Based Proposal

Estimating peptide-major histocompatibility complex (pMHC) binding using structural computational methods has an impact on understanding overall immune function triggering adaptive immune responses in MHC class II molecules. We developed a strategy for optimizing pMHC structure interacting with wate...

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Detalles Bibliográficos
Autores Principales: Ortiz-Mahecha C.A., Bohórquez H.J., Agudelo W.A., Patarroyo M.A., Patarroyo M.E., Suárez C.F.
Formato: Artículo (Article)
Lenguaje:Inglés (English)
Publicado: American Chemical Society 2019
Materias:
Binders
Free energy
Mean square error
Molecules
Peptides
Quantum theory
Adaptive immune response
Immune function
Implicit solvent model
Major histocompatibility complex
Relative free energy
Reliable methods
Root mean square errors
Semi-empirical quantum mechanics
Binding energy
Acceso en línea:https://repository.urosario.edu.co/handle/10336/22284
https://doi.org/10.1021/acs.jcim.9b00672

Internet

https://repository.urosario.edu.co/handle/10336/22284
https://doi.org/10.1021/acs.jcim.9b00672

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