Litcius/Paper detail

An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations

Madhur Babu Singh, Pallavi Jain, Jaya Tomar, Vinod Kumar, Indra Bahadur, Dinesh Kumar Arya, Prashant Singh

2022Journal of the Indian Chemical Society41 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryMolecular dynamicsComputational chemistryDocking (animal)Density functional theoryADMEIn silicoMoleculeBinding energyHydroxymethylStereochemistryOrganic chemistryAtomic physicsBiochemistryIn vitroNursingMedicineGenePhysicsComputational Drug Discovery MethodsBioactive Compounds and Antitumor AgentsNonlinear Optical Materials Research
An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations | Litcius