Stefano Artin Serapian
Affiliations: | University of Pavia, Italy |
Area:
QM/MM, computational chemistry, DFT, molecular dynamicsGoogle:
"Stefano Serapian"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Michael J. Bearpark | grad student | 2010-2014 | Imperial College London, Department of Chemistry |
| Fernando Bresme | grad student | 2010-2014 | Imperial College London, Department of Chemistry |
| Carles Bo | post-doc | 2014-2016 | ICIQ – Institute of Chemical Research of Catalonia |
| Marc W Van der Kamp | post-doc | 2017-2019 | University of Bristol |
| Giorgio Colombo | research scientist | 2019- | University of Pavia, Italy |
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Publications
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| Mansoor S, Frasnetti E, Cucchi I, et al. (2025) Large-scale energy decomposition for the analysis of protein stability. Cell Stress & Chaperones. 30: 57-68 |
| Guerriere TB, Vancheri A, Ricotti I, et al. (2025) Dehydrogenase oxidase function: the interplay between substrate binding and flavin microenvironment. Acs Catalysis. 15: 1046-1060 |
| Scantamburlo F, Masgras I, Ciscato F, et al. (2024) Design and Test of Molecules that Interfere with the Recognition Mechanisms between the SARS-CoV-2 Spike Protein and Its Host Cell Receptors. Journal of Chemical Information and Modeling. 64: 8274-8282 |
| Frasnetti E, Cucchi I, Pavoni S, et al. (2024) Integrating Molecular Dynamics and Machine Learning Algorithms to Predict the Functional Profile of Kinase Ligands. Journal of Chemical Theory and Computation |
| Frasnetti E, Magni A, Castelli M, et al. (2024) Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence. Current Opinion in Structural Biology. 87: 102835 |
| Castelli M, Magni A, Bonollo G, et al. (2023) Molecular Mechanisms of Chaperone Directed Protein Folding: Insights from Atomistic Simulations. Protein Science : a Publication of the Protein Society. e4880 |
| Castelli M, Marchetti F, Osuna S, et al. (2023) Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary Approaches Based on Unbiased Molecular Dynamics Simulations. Journal of the American Chemical Society. 146: 901-919 |
| Casali E, Serapian SA, Gianquinto E, et al. (2023) NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design. International Journal of Biological Macromolecules. 246: 125609 |
| Triveri A, Casali E, Frasnetti E, et al. (2023) Conformational Behavior of SARS-Cov-2 Spike Protein Variants: Evolutionary Jumps in Sequence Reverberate in Structural Dynamic Differences. Journal of Chemical Theory and Computation |
| Torielli L, Serapian SA, Mussolin L, et al. (2022) Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces. Journal of Chemical Information and Modeling. 63: 343-353 |