Gervasio, Francesco Luigi

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

Laio, A., & Gervasio, F. L. (2008) · Reports on Progress in Physics

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1,619

Assessing the Accuracy of Metadynamics

Laio, A., Rodriguez-Fortea, A., Gervasio, F. L., Ceccarelli, M., & Parrinello, M. (2005) · The Journal of Physical Chemistry B

Advanced Physical and Chemical Molecular InteractionsAdvanced Chemical Physics Studies

Cited by 517

Role of glutamine synthetase in angiogenesis beyond glutamine synthesis

Eelen, G., Dubois, C., Cantelmo, A. R., Goveia, J., Brüning, U., DeRan, M., Jarugumilli, G., van Rijssel, J., Saladino, G., Comitani, F., et al. (2018) · Nature

Angiogenesis and VEGF in CancerProtein Kinase Regulation and GTPase Signaling

Cited by 220

The Unfolded Ensemble and Folding Mechanism of the C-Terminal GB1 β-Hairpin

Bonomi, M., Branduardi, D., Gervasio, F. L., & Parrinello, M. (2008) · Journal of the American Chemical Society

Protein Structure and DynamicsChemical Synthesis and Analysis

Cited by 97

Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography

Borsatto, A., Akkad, O., Galdadas, I., Ma, S., Damfo, S., Haider, S., Kozielski, F., Estarellas, C., & Gervasio, F. L. (2022) · eLife

SARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery Methods

Cited by 32

Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations

Karrenbrock, M., Rizzi, V., Procacci, P., & Gervasio, F. L. (2024) · The Journal of Physical Chemistry B

Computational Drug Discovery MethodsProtein Degradation and Inhibitors

Cited by 5

Editorial: Machine Learning in Biomolecular Simulations

Verkhivker, G., Spiwok, V., & Gervasio, F. L. (2019) · Frontiers in Molecular Biosciences

Machine Learning in Materials ScienceProtein Structure and Dynamics

Cited by 4