Litcius/Paper detail

Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies

Rahul Singh, Prof Parvin Kumar, Jayant Sindhu, Meena Devi, Ashwani Kumar, Sohan Lal, Devender Singh

2023Computers in Biology and Medicine28 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipMolecular dynamicsDocking (animal)ParsingComputer scienceBiological systemMolecular modelComputational biologyChemistryArtificial intelligenceStereochemistryMachine learningComputational chemistryBiologyNursingMedicineComputational Drug Discovery MethodsEnzyme Production and CharacterizationClick Chemistry and Applications
Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies | Litcius