Paolo Carloni
Juelich, NW 09042, Germany
Last Updated: 09/26/2026
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Found 173 publications
Decoding Cancer-Associated Mutations in DNA Polymerase η through Atomistic Simulations.
Journal: Journal of chemical theory and computation
Published: May 21, 2026
Disease-Associated Mutations Impact DNA Methyltransferase 1 Function through Dynamic Allosteric Effects and Solvent Exposure.
Journal: Journal of chemical theory and computation
Published: May 18, 2026
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.
Journal: Journal of chemical information and modeling
Published: February 20, 2026
From Atoms to Neuronal Spikes: A Multiscale Simulation Framework.
Journal: Journal of chemical theory and computation
Published: January 13, 2026
From Atoms to Neuronal Spikes: A Multi-Scale Simulation Framework.
Journal: bioRxiv : the preprint server for biology
Published: November 24, 2025
Structural and functional role of the magnesium ion in the human oxytocin receptor.
Journal: Journal of inorganic biochemistry
Published: November 05, 2025
IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning.
Journal: The journal of physical chemistry. B
Published: October 29, 2025
pH-dependent structural dynamics of neuropeptide Y in aqueous solution.
Journal: PloS one
Published: September 27, 2025
Protonation-dependent substrate release in a bacterial homolog of vesicular glutamate.
Journal: Biophysical journal
Published: September 26, 2025
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex.
Journal: Frontiers in computational neuroscience
Published: September 12, 2025
Binding pose depth modulates photoswitchable ligands' efficacy at the 5-HT2A receptor.
Journal: Communications chemistry
Published: July 22, 2025
Last Updated: 09/26/2026