Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors

Niranjan Kumar, Rakesh Srivastava, Amresh Prakash, Andrew M. Lynn

2020Journal of Molecular Graphics and Modelling19 citationsDOI

Topics & Concepts

Virtual screeningMycobacterium tuberculosisMoleculeChemistrySmall moleculeComputational biologyDocking (animal)TuberculosisStereochemistryDrug discoveryBiologyBiochemistryMedicineOrganic chemistryNursingPathologyTuberculosis Research and EpidemiologyCancer therapeutics and mechanismsBiochemical and Molecular Research