نتایج جستجو برای: virtual screening

تعداد نتایج: 370631  

2015
Aliuska Morales Helguera Yunierkis Perez-Castillo M. Natália D. S. Cordeiro Eduardo Tejera Cesar Paz-y-Miño Aminael Sánchez-Rodríguez Marta Teijeira Bautista Evys Ancede-Gallardo Fernando Cagide Fernanda Borges Maykel Cruz-Monteagudo

Virtual Screening methodologies have emerged as efficient alternatives for the discovery of new drug candidates. At the same time, ensemble methods are nowadays frequently used to overcome the limitations of employing a single model in ligand-based drug design. However, many applications of ensemble methods to this area do not consider important aspects related to both virtual screening and the...

Journal: :Proceedings of the National Academy of Sciences 2003

Journal: :Journal of Chemical Information and Modeling 2019

Accumulating evidence indicates that toll-like receptor 4 (TLR4) plays a critical role in promoting adaptive immune responses and are definitively involved in the expansion and maintenance of the neuropathic pain. However, the application of docking in virtual-screening in silico methods to drug discovery has some challenge but it allows us to make the directed and meaningful design of drugs fo...

Journal: :Expert Opinion on Drug Discovery 2010

Journal: :Journal of Cheminformatics 2009

Phosphodiesterase 4 (PDE4) has been established as a promising target in asthma andchronic obstructive pulmonary disease. PDE4B subtype selective inhibitors are known toreduce the dose limiting adverse effect associated with non-selective PDE4B inhibitors. Thismakes the development of PDE4B subtype selective inhibitors a desirable research goal. Toachieve this goal, ligand based pharmacophore m...

Journal: :Journal of Cheminformatics 2015

Journal: :Proteins: Structure, Function, and Bioinformatics 2011

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