Andrew S Paluch

10PUBLICATIONS
16CO-AUTHORS
CrystallographyChemical thermodynamics and energeticsCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistryNanomaterials
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Publications (10)

|Apr 19, 2026
Elucidating the Solvent-Dependent Solvation and Structural Stability of Irinotecan: A Molecular Simulation Study.

|Feb 09, 2026
Water and chloroform pure component and binary mixtures: New insights from molecular dynamics simulations.

Marcelo Albuquerque, Alexandre Moni Pereira, Jarede S Martins

|Nov 11, 2025
Computational Evaluation of Statin Analogs Targeting HMG-CoA Reductase for Coronary Artery Disease Treatment.

Yoshua B Mtulo, Geradius Deogratias, James E Mgaya

|Oct 22, 2025
Leveraging Molecular Mechanics With the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive Validation.

Andrew S Paluch, Jeffrey G Ethier, Vikas Varshney

|Jul 11, 2025
Harnessing antimicrobial peptide-functionalized nanoparticles: a perspective on experimental and computational strategies to combat antibiotic resistance.

Miroslava Nedyalkova, Diana Potes Vecini, Andrew S Paluch

|Jan 31, 2023
Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an in silico study.

Osmair Vital de Oliveira, Maria Cristina Andreazza Costa, Ricardo Marques da Costa

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Frequent Collaborators

2 joint publications

Lucas Paul

1 joint publications

Márcia Miguel Castro Ferreira

1 joint publications

Miroslava Nedyalkova

1 joint publications

Marco Lattuada