Marco G. Cecchini

Strasbourg, 67081, France

Last Updated: 09/26/2026

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Found 64 publications

Rise of AI Technologies in Virtual Screening.

Rise of AI Technologies in Virtual Screening.

Journal: Journal of chemical information and modeling

Published: April 16, 2026

Platinum(II) and ruthenium(II) coordination complexes equipped with an anchoring site for binding the protein kinase enzyme pockets: synthesis, molecular docking and biological assays.

Platinum(II) and ruthenium(II) coordination complexes equipped with an anchoring site for binding the protein kinase enzyme pockets: synthesis, molecular docking and biological assays.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: April 17, 2025

Hidden complexity of α7 nicotinic acetylcholine receptor desensitization revealed by MD simulations and Markov state modeling.

Hidden complexity of α7 nicotinic acetylcholine receptor desensitization revealed by MD simulations and Markov state modeling.

Journal: Proceedings of the National Academy of Sciences of the United States of America

Published: February 13, 2025

The Nicotinic Acetylcholine Receptor and Its Pentameric Homologs: Toward an Allosteric Mechanism of Signal Transduction at the Atomic Level.

The Nicotinic Acetylcholine Receptor and Its Pentameric Homologs: Toward an Allosteric Mechanism of Signal Transduction at the Atomic Level.

Journal: Annual review of biochemistry

Published: February 12, 2024

Alchemical Free Energy Calculations on Membrane-Associated Proteins.

Alchemical Free Energy Calculations on Membrane-Associated Proteins.

Journal: Journal of chemical theory and computation

Published: October 30, 2023

A weak coupling mechanism for the early steps of the recovery stroke of myosin VI: A free energy simulation and string method analysis.

A weak coupling mechanism for the early steps of the recovery stroke of myosin VI: A free energy simulation and string method analysis.

Journal: PLoS computational biology

Published: October 07, 2023

Structural mechanisms of α7 nicotinic receptor allosteric modulation and activation.

Structural mechanisms of α7 nicotinic receptor allosteric modulation and activation.

Journal: Cell

Published: August 31, 2023

ChemFlow_py: a flexible toolkit for docking and rescoring.

ChemFlow_py: a flexible toolkit for docking and rescoring.

Journal: Journal of computer-aided molecular design

Published: June 07, 2023

A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1.

A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1.

Journal: Nature communications

Published: April 26, 2023

ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies.

ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies.

Journal: Journal of chemical information and modeling

Published: January 05, 2023

Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles.

Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles.

Journal: Computational and structural biotechnology journal

Published: December 14, 2022

Lateral fenestrations in the extracellular domain of the glycine receptor contribute to the main chloride permeation pathway.

Lateral fenestrations in the extracellular domain of the glycine receptor contribute to the main chloride permeation pathway.

Journal: Science advances

Published: October 14, 2022

Showing 1-12 of 64

Last Updated: 09/26/2026