Cargando…
NMR refinement and peptide folding using the GROMACS software
Nuclear magnetic resonance spectroscopy is used routinely for studying the three-dimensional structures and dynamics of proteins and nucleic acids. Structure determination is usually done by adding restraints based upon NMR data to a classical energy function and performing restrained molecular simu...
Autores principales: | Sinelnikova, Anna, Spoel, David van der |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Netherlands
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8131288/ https://www.ncbi.nlm.nih.gov/pubmed/33778935 http://dx.doi.org/10.1007/s10858-021-00363-z |
Ejemplares similares
-
Efficient Empirical
Valence Bond Simulations with
GROMACS
por: Oanca, Gabriel, et al.
Publicado: (2023) -
Scalable Constant pH Molecular Dynamics in GROMACS
por: Aho, Noora, et al.
Publicado: (2022) -
Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS
por: Niranjan, Vidya, et al.
Publicado: (2023) -
SMOG@ctbp: simplified deployment of structure-based models in GROMACS
por: Noel, Jeffrey K., et al.
Publicado: (2010) -
ForceGen: atomic covalent bond value derivation for Gromacs
por: Nash, Anthony, et al.
Publicado: (2017)