Publications by authors named "S Decherchi"

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Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation.
Marco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia, Sergio Decherchi

J Chem Inf Model· December 2025

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NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual.
Carlo Abate, Eleonora Serra, Walter Rocchia, Andrea Cavalli, Sergio Decherchi

J Chem Inf Model· July 2025

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Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding.
Eleonora Serra, Alessia Ghidini, Riccardo Aguti, Mattia Bernetti, Sergio Decherchi

J Chem Inf Model· June 2025

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Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation.
Eleonora Serra, Alessia Ghidini, Sergio Decherchi, Andrea Cavalli

J Chem Theory Comput· February 2025

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OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential.
Stefano Martire, Sergio Decherchi, Andrea Cavalli

J Chem Theory Comput· July 2024

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