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Sergio Decherchi

17PUBLICATIONS

23CO-AUTHORS

Proteomics and intermolecular interactions (excl. medical proteomics)Nanoelectromechanical systemsBiomolecular modelling and designChemical and thermal processes in energy and combustionTheoretical quantum chemistry

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Publications (17)

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|Mar 16, 2026

Structural and Kinetic Basis for the Rational Design of Next-Generation β-Lactamase Inhibitors.

Shuang Chen, Muchen Yu, Manming Xu

|Dec 23, 2025

Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation.

Marco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia

|Jun 30, 2025

NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual.

Carlo Abate, Eleonora Serra, Walter Rocchia

|Jun 06, 2025

Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding.

Eleonora Serra, Alessia Ghidini, Riccardo Aguti

|Feb 05, 2025

Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation.

Eleonora Serra, Alessia Ghidini, Sergio Decherchi

|Jul 09, 2024

OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential.

Stefano Martire, Sergio Decherchi, Andrea Cavalli

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Frequent Collaborators

13 joint publications

Andrea Cavalli

3 joint publications

Walter Rocchia

2 joint publications

Dorothea Gobbo

2 joint publications

Francesco Di Palma

1 joint publications

P Ballone

1 joint publications

G Ciccotti

1 joint publications

Nicola Demitri

1 joint publications

Laura Riccardi

1 joint publications

Fabrizio Mancin

1 joint publications

Marco De Vivo

Frequent Collaborators

13 joint publications

Andrea Cavalli

3 joint publications

Walter Rocchia

2 joint publications

Dorothea Gobbo

2 joint publications

Francesco Di Palma

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