Cargando…
dockECR: Open consensus docking and ranking protocol for virtual screening of small molecules
The development of open computational pipelines to accelerate the discovery of treatments for emerging diseases allows finding novel solutions in shorter periods of time. Consensus molecular docking is one of these approaches, and its main purpose is to increase the detection of real actives within...
Autores principales: | Ochoa, Rodrigo, Palacio-Rodriguez, Karen, Clemente, Camila M., Adler, Natalia S. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier Inc.
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8442548/ https://www.ncbi.nlm.nih.gov/pubmed/34555725 http://dx.doi.org/10.1016/j.jmgm.2021.108023 |
Ejemplares similares
-
Exponential consensus ranking improves the outcome in docking and receptor ensemble docking
por: Palacio-Rodríguez, Karen, et al.
Publicado: (2019) -
Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds
por: Scardino, Valeria, et al.
Publicado: (2021) -
Comprehensive Survey of Consensus Docking for High-Throughput Virtual Screening
por: Blanes-Mira, Clara, et al.
Publicado: (2022) -
BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome
por: Li, Liwei, et al.
Publicado: (2010) -
Comparative Assessment of Docking Programs for Docking and Virtual Screening of Ribosomal Oxazolidinone Antibacterial Agents
por: Buckley, McKenna E., et al.
Publicado: (2023)