Cargando…
A Hierarchical Coarse-Grained (All-Atom-to-All-Residue) Computer Simulation Approach: Self-Assembly of Peptides
A hierarchical computational approach (all-atom residue to all-residue peptide) is introduced to study self-organizing structures of peptides as a function of temperature. A simulated residue-residue interaction involving all-atom description, analogous to knowledge-based analysis (with different in...
Autores principales: | Pandey, Ras B., Kuang, Zhifeng, Farmer, Barry L. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3742673/ https://www.ncbi.nlm.nih.gov/pubmed/23967121 http://dx.doi.org/10.1371/journal.pone.0070847 |
Ejemplares similares
-
The Assembly Switch Mechanism of FtsZ Filament Revealed by All-Atom Molecular Dynamics Simulations and Coarse-Grained Models
por: Lv, Dashuai, et al.
Publicado: (2021) -
Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models
por: Genheden, Samuel
Publicado: (2017) -
Random Coil to Globular Thermal Response of a Protein (H3.1) with Three Knowledge-Based Coarse-Grained Potentials
por: Pandey, Ras B., et al.
Publicado: (2012) -
Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes
por: Sommer, B, et al.
Publicado: (2011) -
A combined coarse-grained and all-atom simulation of TRPV1 channel gating and heat activation
por: Zheng, Wenjun, et al.
Publicado: (2015)