In silico design and physicochemical characterisation of a dual-action intranasal nanoparticle formulation for Alzheimer's disease

Analysed data for the manuscript "In silico design and physicochemical characterisation of a dual-action intranasal nanoparticle formulation for Alzheimer's disease". The deposit holds 19 files in CSV and text across six folders - molecular docking, molecular dynamics, ADMET prediction, pharmacokinetic modelling, nanoparticle characterisation, and source data for the four main figures. It reproduces every value reported in Tables 1 to 4 and Supplementary Tables S1 and S2, including the twelve docking binding energies across three targets and the size, polydispersity and zeta potential measurements for three PLGA batches. Protein structures were taken from the Worldwide Protein Data Bank (4ASZ, 6GX5, 1Q4L) and ligand structures from PubChem. Neither is redistributed here. Raw instrument and simulation outputs are not included: GROMACS trajectories, PK-Sim project files and Zetasizer session exports were not retained. README.md states plainly what is absent and records the software versions and parameter settings needed to rebuild each analysis from the deposited inputs. MANIFEST.csv lists ecah file and its contents. Released under CC BY 4.0.