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Andrew S. Paluch

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Open access Oct 2026

Equilibrium Solubility and Solution Structure of Paracetamol: A Molecular Dynamics Study Spanning Four Orders of Magnitude in Diverse Pure Solvents

Molecular dynamics simulations are used to investigate the equilibrium solubility and solution structure of paracetamol (or acetaminophen) in water, ethanol, acetone, diethylamine, dimethylformamide, dimethyl sulfoxide, toluene, and cyclohexane. A rigorous thermodynamic framework relates the solution‐phase concentratio...

Katherine E. Mevis, Ella M. Smith, Andrew S. Paluch · 0 citations
Open access Aug 2026

Integrated In Silico Discovery of Thymoquinone Analogs Targeting the Keap1–Nrf2 Pathway for Amyotrophic Lateral Sclerosis Therapy

This study identifies structurally tractable TQ analogs with improved predicted potency and establishes a robust computational framework for neuroprotective discovery as redox‐modulating agents in ALS.

Jabir C Nalicho, P. Mabeyo, Andrew S. Paluch et al. · 0 citations

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