Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches
Michael González‐Durruthy, Gustavo Scanavachi, Ramón Rial, Zhen Liu, M. Natália D. S. Cordeiro, Rosângela Itri, Juan M. Ruso
Topics & Concepts
Docking (animal)Isothermal titration calorimetryChemistryAllosteric regulationDrug designConformational isomerismBinding siteHomology modelingMolecular dynamicsRational designComputational chemistryStereochemistryBiophysicsCrystallographyMoleculeReceptorBiochemistryNanotechnologyMaterials scienceBiologyMedicineOrganic chemistryNursingEnzymeProtein Interaction Studies and Fluorescence AnalysisComputational Drug Discovery MethodsProtein Structure and Dynamics