G. Giudetti

Faculteit Science and Engineering

Telefoon:

050 36 34440

E-mail:

g.giudetti rug.nl

ORCID Research Portal

Publicaties

Simulations Across Scales: Insights into Biomolecular Mechanisms, Magnetic Materials, and Optical Processes

Giudetti, G., 2024, [Groningen]: University of Groningen. 119 blz.

Onderzoeksoutput

Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction Mechanisms

Grigorenko, B. L., Polyakov, I. V., Khrenova, M. G., Giudetti, G., Faraji, S., Krylov, A. I. & Nemukhin, A. V., 21-jun.-2023, In: Journal of the American Chemical Society. 145, 24, blz. 13204-13214 11 blz.

Onderzoeksoutput › › peer review

How Reproducible Are QM/MM Simulations?: Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur

Giudetti, G., Polyakov, I., Grigorenko, B. L., Faraji, S., Nemukhin, A. V. & Krylov, A. I., 9-aug.-2022, In: Journal of Chemical Theory and Computation. 18, 8, blz. 5056–5067 12 blz.

Onderzoeksoutput › › peer review

Theoretical insights into the effect of size and substitution patterns of azobenzene derivatives on the DNA G-quadruplex

Gholamjani Moghaddam, K., Giudetti, G., Sipma, W. & Faraji, S., 14-dec.-2020, In: PPCP : Physical Chemistry Chemical Physics. 22, 46, blz. 26944-26954 11 blz.

Onderzoeksoutput › › peer review

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