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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Francesco Luigi Gervasio

4 results in Authors: Francesco Luigi Gervasio

Biological and Medicinal Chemistry

A New Perspective for Nonphotochemical Quenching in Plant Antenna Complexes

Edoardo Cignoni, Margherita Lapillo, Lorenzo Cupellini, Silvia Acosta Gutierrez, Francesco Luigi Gervasio, Benedetta Mennucci

Version 1 posted 15 June 2021

281

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Biological and Medicinal Chemistry

A nonequilibrium alchemical method for drug-receptor absolute binding free energy calculations: the role of restraints

Maurice Karrenbrock, Piero Procacci, Francesco Luigi Gervasio

Version 1 posted 28 February 2023

622

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Theoretical and Computational Chemistry

Absolute Binding Free Energies with OneOPES

Maurice Karrenbrock, Alberto Borsatto, Valerio Rizzi, Dominykas Lukauskis, Simone Aureli, Francesco Luigi Gervasio

Version 2 posted 01 August 2024

1,010

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Theoretical and Computational Chemistry

Addressing sub-optimal poses in non-equilibrium alchemical calculations

Maurice Karrenbrock, Valerio Rizzi, Piero Procacci, Francesco Luigi Gervasio

Version 1 posted 03 October 2023

399

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