Cargando…
Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning
The new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes pathological pulmonary symptoms. Most efforts to develop vaccines and drugs against this virus target the spike glycoprotein, particularly its S1 subunit, which is recognised by angiotensin-converting enzyme 2. Here we use t...
Autores principales: | Pinto, Gaspar P., Vavra, Ondrej, Marques, Sergio M., Filipovic, Jiri, Bednar, David, Damborsky, Jiri |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Research Network of Computational and Structural Biotechnology
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8174816/ https://www.ncbi.nlm.nih.gov/pubmed/34104357 http://dx.doi.org/10.1016/j.csbj.2021.05.043 |
Ejemplares similares
-
Fast Screening of Inhibitor Binding/Unbinding Using Novel Software Tool CaverDock
por: Pinto, Gaspar P., et al.
Publicado: (2019) -
Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport
por: Stourac, Jan, et al.
Publicado: (2019) -
pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support
por: Vavra, Ondrej, et al.
Publicado: (2023) -
Fully automated virtual screening pipeline of FDA-approved drugs using Caver Web
por: Musil, Milos, et al.
Publicado: (2022) -
CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories
por: Jurcik, Adam, et al.
Publicado: (2018)