Cargando…
Integrated Computational Approaches and Tools for Allosteric Drug Discovery
Understanding molecular mechanisms underlying the complexity of allosteric regulation in proteins has attracted considerable attention in drug discovery due to the benefits and versatility of allosteric modulators in providing desirable selectivity against protein targets while minimizing toxicity a...
Autores principales: | Sheik Amamuddy, Olivier, Veldman, Wayde, Manyumwa, Colleen, Khairallah, Afrah, Agajanian, Steve, Oluyemi, Odeyemi, Verkhivker, Gennady M., Tastan Bishop, Özlem |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7036869/ https://www.ncbi.nlm.nih.gov/pubmed/32013012 http://dx.doi.org/10.3390/ijms21030847 |
Ejemplares similares
-
Integration of Random Forest Classifiers and Deep Convolutional Neural Networks for Classification and Biomolecular Modeling of Cancer Driver Mutations
por: Agajanian, Steve, et al.
Publicado: (2019) -
Decoding the Molecular Effects of Atovaquone Linked Resistant Mutations on Plasmodium falciparum Cytb-ISP Complex in the Phospholipid Bilayer Membrane
por: Chebon-Bore, Lorna, et al.
Publicado: (2021) -
Allosteric pockets and dynamic residue network hubs of falcipain 2 in mutations including those linked to artemisinin resistance
por: Okeke, Chiamaka Jessica, et al.
Publicado: (2021) -
Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2018) -
Improving fold resistance prediction of HIV-1 against protease and reverse transcriptase inhibitors using artificial neural networks
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2017)