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...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2019
- Institución:
- Universidad del Rosario
- Repositorio:
- Repositorio EdocUR - U. Rosario
- Idioma:
- eng
- OAI Identifier:
- oai:repository.urosario.edu.co:10336/22284
- Acceso en línea:
- https://doi.org/10.1021/acs.jcim.9b00672
https://repository.urosario.edu.co/handle/10336/22284
- Palabra clave:
- 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
- Rights
- License
- Abierto (Texto Completo)