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Matteo Carli
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Candidate binding sites for allosteric inhibition of the SARS-CoV-2 main protease from the analysis of large-scale molecular dynamics simulations
M Carli, G Sormani, A Rodriguez, A Laio
The journal of physical chemistry letters 12 (1), 65-72, 2020
252020
DADApy: Distance-based analysis of data-manifolds in Python
A Glielmo, I Macocco, D Doimo, M Carli, C Zeni, R Wild, M d’Errico, ...
Patterns 3 (10), 2022
142022
Romina Wild, Maria d’Errico, Alex Rodriguez, and Alessandro Laio
A Glielmo, I Macocco, D Doimo, M Carli, C Zeni
Dadapy: Distance-based analysis of datamanifolds in python. Patterns 3 (10 …, 2022
62022
Statistically unbiased free energy estimates from biased simulations
M Carli, A Laio
Molecular Physics 119 (19-20), e1899323, 2021
52021
Nonparametric density estimation methods and applications to molecular simulations
M Carli
SISSA, 2022
2022
Microscopic calculation of absorption spectra of macromolecules: An analytic approach
M Carli, M Turelli, P Faccioli
The Journal of Chemical Physics 150 (14), 2019
2019
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Articles 1–6