Goran Giudetti

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 3

Top Topics

Respiratory Syndrome Coronavirus

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Journal of the American Chemical Society

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Goran Giudetti, Madhubani Mukherjee, Samprita Nandi, Sraddha Agrawal, Oleg V Prezhdo, Aiichiro Nakano
Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach. Journal of chemical information and modeling (2024)
Bella L Grigorenko, Igor V Polyakov, Maria G Khrenova, Goran Giudetti, Shirin Faraji, Anna I Krylov, Alexander V Nemukhin
Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction Mechanisms. Journal of the American Chemical Society (2023)
Goran Giudetti, Igor V Polyakov, Bella L Grigorenko, Shirin Faraji, Alexander V Nemukhin, Anna I Krylov
How Reproducible Are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur. Journal of chemical theory and computation 18 (8) (2022)