Identification of potential inhibitors against E.coli via novel approaches based on deep learning and quantum mechanics-based atomistic investigations
Mubashir Aziz, Syeda Abida Ejaz, Bshra A. Alsfouk, Ahlam Sultan, Chen Li
Topics & Concepts
Molecular mechanicsIdentification (biology)ChemistryNanotechnologyComputational biologyMolecular dynamicsComputational chemistryMaterials scienceBiologyBotanyCancer therapeutics and mechanismsSynthesis and biological activityComputational Drug Discovery Methods