Cargando…
Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems
[Image: see text] Characterizing large-scale structural transitions in biomolecular systems poses major technical challenges to both experimental and computational approaches. On the computational side, efficient sampling of the configuration space along the transition pathway remains the most daunt...
Autores principales: | Moradi, Mahmoud, Tajkhorshid, Emad |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2014
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4089915/ https://www.ncbi.nlm.nih.gov/pubmed/25018675 http://dx.doi.org/10.1021/ct5002285 |
Ejemplares similares
-
Conformational Dynamics at the Inner Gate of KcsA
during Activation
por: Hulse, Raymond E., et al.
Publicado: (2014) -
Driven Metadynamics: Reconstructing Equilibrium Free
Energies from Driven Adaptive-Bias Simulations
por: Moradi, Mahmoud, et al.
Publicado: (2013) -
Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins
por: Kapoor, Karan, et al.
Publicado: (2022) -
Protein conformation and biomolecular condensates
por: Vazquez, Diego S., et al.
Publicado: (2022) -
ClustENMD: efficient sampling of biomolecular conformational space at atomic resolution
por: Kaynak, Burak T, et al.
Publicado: (2021)