Sergio Decherchi

18PUBLICATIONS
23CO-AUTHORS
Theoretical quantum chemistryProteomics and intermolecular interactions (excl. medical proteomics)Nanoelectromechanical systemsBiomolecular modelling and designChemical and thermal processes in energy and combustion
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Publications (18)

|Oct 23, 2026
Torsionator: Dihedral Parameterization and Conformer Search Made Easy.

|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

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Frequent Collaborators

13 joint publications

Andrea Cavalli

3 joint publications

Walter Rocchia

2 joint publications

Dorothea Gobbo

2 joint publications

Marco De Vivo