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In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2

Jorge Enrique Hernández González, Emir Salas‐Sarduy, Lilian Hernández Alvarez, Diego E. B. Gomes, Pedro G. Pascutti, Chris Oostenbrink, Vitor B. P. Leite

2021Journal of Computer-Aided Molecular Design13 citationsDOIOpen Access PDF

Topics & Concepts

Allosteric regulationIn silicoBinding siteVirtual screeningActive siteEnzymeSmall moleculeChemistryNon-competitive inhibitionBiochemistryStereochemistryDrug discoveryGeneRNA and protein synthesis mechanismsTrypanosoma species research and implicationsBiochemical and Structural Characterization
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