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List of works by Gustavo Pierdominici-Sottile

Free energy study of the catalytic mechanism of Trypanosoma cruzi trans-sialidase. From the Michaelis complex to the covalent intermediate.

scientific article published on 27 October 2011

Free-energy computations identify the mutations required to confer trans-sialidase activity into Trypanosoma rangeli sialidase.

scientific article

Molecular Dynamics Simulations of Substrate Release from Trypanosoma cruzi UDP-Galactopyranose Mutase

article

Positively Charged Residues in the Head Domain of P2X4 Receptors Assist the Binding of ATP

scientific article published on 14 January 2020

Proton transfer facilitated by ligand binding. An energetic analysis of the catalytic mechanism of Trypanosoma cruzi trans-sialidase.

scientific article

QM/MM molecular dynamics study of the galactopyranose → galactofuranose reaction catalysed by Trypanosoma cruzi UDP-galactopyranose mutase

scientific article

The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation.

scientific article published in December 2016

Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution.

scientific article published in September 2016

Unraveling the differences of the hydrolytic activity of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase: a quantum mechanics-molecular mechanics modeling study

scientific article

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