Cargando…
doGlycans–Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS
[Image: see text] Carbohydrates constitute a structurally and functionally diverse group of biological molecules and macromolecules. In cells they are involved in, e.g., energy storage, signaling, and cell–cell recognition. All of these phenomena take place in atomistic scales, thus atomistic simula...
Autores principales: | Danne, Reinis, Poojari, Chetan, Martinez-Seara, Hector, Rissanen, Sami, Lolicato, Fabio, Róg, Tomasz, Vattulainen, Ilpo |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2017
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662928/ https://www.ncbi.nlm.nih.gov/pubmed/28906114 http://dx.doi.org/10.1021/acs.jcim.7b00237 |
Ejemplares similares
-
How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations
por: Äijänen, Tarja, et al.
Publicado: (2014) -
Editorial: Plant Glycobiology - A Sweet World of Glycans, Glycoproteins, Glycolipids, and Carbohydrate-Binding Proteins
por: Seifert, Georg J., et al.
Publicado: (2021) -
Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force field for lipids compatible with OPLS-AA parameters
por: Róg, Tomasz, et al.
Publicado: (2016) -
Atomistic fingerprint of hyaluronan–CD44 binding
por: Vuorio, Joni, et al.
Publicado: (2017) -
Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
por: Kutzner, Carsten, et al.
Publicado: (2011)