Cargando…
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening
BACKGROUND: The number of protein targets with a known or predicted tri-dimensional structure and of drug-like chemical compounds is growing rapidly and so is the need for new therapeutic compounds or chemical probes. Performing flexible structure-based virtual screening computations on thousands of...
Autores principales: | Sauton, Nicolas, Lagorce, David, Villoutreix, Bruno O, Miteva, Maria A |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2008
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373571/ https://www.ncbi.nlm.nih.gov/pubmed/18402678 http://dx.doi.org/10.1186/1471-2105-9-184 |
Ejemplares similares
-
DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening
por: Lagorce, David, et al.
Publicado: (2009) -
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
por: Pencheva, Tania, et al.
Publicado: (2008) -
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
por: Tai, Hio Kuan, et al.
Publicado: (2018) -
Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets
por: Feinstein, Wei P., et al.
Publicado: (2015) -
PatchDock and SymmDock: servers for rigid and symmetric docking
por: Schneidman-Duhovny, Dina, et al.
Publicado: (2005)