Adaptive simulations, towards interactive protein-ligand modeling
Abstract Modeling the dynamic nature of protein-ligand binding with atomistic simulations is one of the main challenges in computational biophysics, with important implications in the drug design process. Although in the past few years hardware and software advances have significantly revamped the u...
Guardado en:
Autores principales: | Daniel Lecina, Joan F. Gilabert, Victor Guallar |
---|---|
Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2017
|
Materias: | |
Acceso en línea: | https://doaj.org/article/c0134478081246958b225c6b67e92df0 |
Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
-
Competitive interactions of ligands and macromolecular crowders with maltose binding protein.
por: Andrew C Miklos, et al.
Publicado: (2013) -
Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors.
por: Arnout Voet, et al.
Publicado: (2013) -
Simulated evolution of protein-protein interaction networks with realistic topology.
por: G Jack Peterson, et al.
Publicado: (2012) -
Carbene footprinting accurately maps binding sites in protein–ligand and protein–protein interactions
por: Lucio Manzi, et al.
Publicado: (2016) -
Kinetics and thermodynamics of the protein-ligand interactions in the riboflavin kinase activity of the FAD synthetase from Corynebacterium ammoniagenes
por: María Sebastián, et al.
Publicado: (2017)