RSC Advances · 2017 · 84 citations · 33 references
PharmacyMedicinal ChemistryPharmacologyComputational Medicinal ChemistryDrug DiscoveryStructure-activity RelationshipsComputational Drug DiscoveryMolecular DockingMolecular ModelingQuantitative Structure-activity RelationshipsStructure-activity Relationship AnalysisVirtual ScreeningComputational Structure-activity ModelingComputer-aided Drug DiscoveryDocking-based Drug DesignHelicobacter Pylori InfectionMolecular Docking AnalysisSmall-molecule DockingStructure-activity Relationship ModelingUrease Inhibitors
The present study was carried out with the specific aim to evaluate anti-<italic>Helicobacter pylori</italic>(Hp) and urease inhibitory activities of three flavonoids from Syzygium alternifolium through the<italic>in vitro</italic>and bio-computational approaches.
33
Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17