Sergio Decherchi (S Decherchi)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 21

Top Topics

Reactive Oxygen Species

Machine Learning

Tyrosine Kinase

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The Journal of chemical physics

Nanoscale horizons

This page only lists publications with an associated author ORCID identifier.

Publications

Valentina Castagnola, Valeria Tomati, Luca Boselli, Clarissa Braccia, Sergio Decherchi, Pier Paolo Pompa, Nicoletta Pedemonte, Fabio Benfenati, Andrea Armirotti
Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona. Nanoscale horizons 9 (5) (2024)
Valentina Castagnola, Valeria Tomati, Luca Boselli, Clarissa Braccia, Sergio Decherchi, Pier Paolo Pompa, Nicoletta Pedemonte, Fabio Benfenati, Andrea Armirotti
Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona. Nanoscale horizons 9 (5) (2024)
Valentina Castagnola, Valeria Tomati, Luca Boselli, Clarissa Braccia, Sergio Decherchi, Pier Paolo Pompa, Nicoletta Pedemonte, Fabio Benfenati, Andrea Armirotti
Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona. Nanoscale horizons 9 (5) (2024)
Stefano Martire, Sergio Decherchi, Andrea Cavalli
OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential. Journal of chemical theory and computation 20 (14) (2024)
Stefano Martire, Sergio Decherchi, Andrea Cavalli
OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential. Journal of chemical theory and computation (2024)
Valentina Castagnola, Valeria Tomati, Luca Boselli, Clarissa Braccia, Sergio Decherchi, Pier Paolo Pompa, Nicoletta Pedemonte, Fabio Benfenati, Andrea Armirotti
Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona. Nanoscale horizons (2024)
Sergio Decherchi, Andrea Cavalli
Optimal Transport for Free Energy Estimation. The journal of physical chemistry letters 14 (6) (2023)
Sergio Decherchi, Giovanni Ciccotti, Andrea Cavalli
Regularized Bennett and Zwanzig free energy estimators. The Journal of chemical physics 158 (12) (2023)
Sergio Decherchi, Andrea Cavalli
Optimal Transport for Free Energy Estimation. The journal of physical chemistry letters 14 (6) (2023)
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, Sergio Decherchi, Andrea Cavalli
On the allosteric puzzle and pocket crosstalk through computational means. The Journal of chemical physics 158 (16) (2023)
Sergio Decherchi, Andrea Cavalli
Optimal Transport for Free Energy Estimation. The journal of physical chemistry letters 14 (6) (2023)
Sergio Decherchi, Andrea Cavalli
Optimal Transport for Free Energy Estimation. The journal of physical chemistry letters (2023)
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, Sergio Decherchi, Andrea Cavalli
On the allosteric puzzle and pocket crosstalk through computational means. The Journal of chemical physics 158 (16) (2023)
Sarmistha Majumdar, Francesco Di Palma, Francesca Spyrakis, Sergio Decherchi, Andrea Cavalli
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome. Journal of chemical information and modeling (2023)
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, Sergio Decherchi, Andrea Cavalli
On the allosteric puzzle and pocket crosstalk through computational means. The Journal of chemical physics 158 (16) (2023)
Martina Bertazzo, Dorothea Gobbo, Sergio Decherchi, Andrea Cavalli
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy. Journal of chemical theory and computation 17 (8) (2021)
Laura Riccardi, Sergio Decherchi, Walter Rocchia, Giordano Zanoni, Andrea Cavalli, Fabrizio Mancin, Marco De Vivo
Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint. The journal of physical chemistry letters 12 (23) (2021)
Francesco Di Palma, Sergio Decherchi, Fátima Pardo-Avila, Sauro Succi, Michael Levitt, Gunnar von Heijne, Andrea Cavalli
Probing Interplays between Human XBP1u Translational Arrest Peptide and 80S Ribosome. Journal of chemical theory and computation (2021)
Dorothea Gobbo, Pietro Ballone, Sergio Decherchi, Andrea Cavalli
Solubility Advantage of Amorphous Ketoprofen. Thermodynamic and Kinetic Aspects by Molecular Dynamics and Free Energy Approaches. Journal of chemical theory and computation 16 (7) (2020)
Sergio Decherchi, Andrea Cavalli
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation. Chemical reviews 120 (23) (2020)
Dorothea Gobbo, Valentina Piretti, Rita Maria Concetta Di Martino, Shailesh Kumar Tripathi, Barbara Giabbai, Paola Storici, Nicola Demitri, Stefania Girotto, Sergio Decherchi, Andrea Cavalli
Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. Journal of chemical theory and computation 15 (8) (2019)