Machine learning-enhanced nano-QSAR and multiscale modeling for predictive nanomedicine: applications in herbal therapeutics and neglected tropical diseases. [PDF]
Discov NanoAbor EK +6 more
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In Silico Prediction of Chronic Oral Reference Doses for PIANO Target Analytes. [PDF]
ToxicsRockswold PD +4 more
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QSAR-Guided Virtual Screening and Molecular Dynamics Reveal Olaparib as a Repurposing Lead Against α-Synuclein Aggregation. [PDF]
Int J Mol SciAbdelsayed M, Boulaamane Y.
europepmc +1 more source
Integrated Virtual Screening and Molecular Electrostatic Surface Potential Descriptors for Predicting BACE1 Inhibitor Interactions in Alzheimer's Disease. [PDF]
ACS OmegaAlvarez-Ginarte Y +4 more
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Machine learning-driven identification of PIM2 kinase inhibitors through QSAR modeling and molecular dynamics simulations. [PDF]
J Genet Eng BiotechnolFahira A +4 more
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A Computational Framework for the Design and Development of Isoform Selective PI3Kα Inhibitors as Novel Anticancer Agents. [PDF]
MoleculesJovanović M +4 more
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Multi-Level Evaluation of Antioxidant Activity, Aging-Related Physiological Functions, and Longevity Effects of <i>Nelumbo nucifera</i> Gaertn. Embryo Extract, <i>Pleuropterus multiflorus</i> (Thunb.) Turcz. ex Nakai Stilbene Glycoside, and Pterostilbene. [PDF]
MoleculesJan KC +4 more
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QSAR in the Browser: An Interactive Cheminformatics Web Application. [PDF]
J Chem Inf ModelMasud SZ +3 more
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Rational Design of Novel Isosteviol-Derived Factor Xa Inhibitors Using Integrated QSAR, Molecular Docking, Molecular Dynamics, and MM/GBSA Analyses. [PDF]
Biology (Basel)Gordon P +4 more
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