Salvalaglio, Matteo - University College London - Department of Chemical Engineering

个人简介

PhD in Chemical Engineering, Politecnico di Milano 2011 Italian ”Laurea Specialistica” in Chemical Engineering, 2007 Italian ”Laurea Triennale” in Chemical Engineering, 2005

研究领域

Crystallization Nucleation Protein-ligand binding Molecular Dynamics Enhanced Sampling

近期论文

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Tribello, G. A., Giberti, F., Sosso, G. C., Salvalaglio, M., & Parrinello, M. (2017). Analyzing and Driving Cluster Formation in Atomistic Simulations. Journal of Chemical Theory and Computation. doi:10.1021/acs.jctc.6b01073 Palazzesi, F., Salvalaglio, M., Barducci, A., & Parrinello, M. (2016). Communication: Role of explicit water models in the helix folding/unfolding processes. The Journal of Chemical Physics, 145 (12), 121101. doi:10.1063/1.4963340 Salvalaglio, M., Tiwary, P., Maggioni, G. M., Mazzotti, M., & Parrinello, M. (2016). Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations. Journal of Chemical Physics, 145 (21). doi:10.1063/1.4966265 Di Fede, G., Catania, M., Maderna, E., Morbin, M., Moda, F., Colombo, L., . . . Tagliavini, F. (2016). Tackling amyloidogenesis in Alzheimer’s disease with A2V variants of Amyloid-β. Scientific Reports, 6, 20949. doi:10.1038/srep20949 Salvalaglio, M., Paloni, M., Guelat, B., Morbidelli, M., & Cavallotti, C. (2015). A two level hierarchical model of protein retention in ion exchange chromatography. Journal of Chromatography A, 1411, 50-62. Sosso, G. C., Salvalaglio, M., Behler, J., Bernasconi, M., & Parrinello, M. (2015). Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations. The Journal of Physical Chemistry C, 119, 6428-6434. Tiwary, P., Limongelli, V., Salvalaglio, M., & Parrinello, M. (2015). Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps. Proceedings of the National Academy of Sciences, 112, E386-E391. Giberti, F., Salvalaglio, M., & Parrinello, M. (2015). Metadynamics studies of crystal nucleation. IUCrJ, 2, 256-266. Perego, C., Salvalaglio, M., & Parrinello, M. (2015). Molecular dynamics simulations of solutions at constant chemical potential. The Journal of chemical physics, 142, 144113. Salvalaglio, M., Perego, C., Giberti, F., Mazzotti, M., & Parrinello, M. (2015). Molecular-dynamics simulations of urea nucleation from aqueous solution. Proceedings of the National Academy of Sciences, 112, E6-E14. Price, S., Rimez, B., Sun, W., Peters, B., Christenson, H., Hughes, C., . . . others. (2015). Nucleation in complex multi-component and multi-phase systems: general discussion. Faraday Discuss., 179, 503-542. Sun, C. C., Sun, W., Price, S., Hughes, C., Ter Horst, J., Veesler, S., . . . others. (2015). Solvent and additive interactions as determinants in the nucleation pathway: general discussion. Faraday Discuss., 179, 383-420. Fernández-Ronco, M. P., Salvalaglio, M., Kluge, J., & Mazzotti, M. (2015). Study of the preparation of amorphous Itraconazole formulations. Crystal Growth & Design. Salvalaglio, M., Mazzotti, M., & Parrinello, M. (2015). Urea homogeneous nucleation mechanism is solvent dependent. Faraday discussions. Salvalaglio, M., Giberti, F., & Parrinello, M. (2014). 1, 3, 5-Tris (4-bromophenyl) benzene prenucleation clusters from metadynamics. Acta Crystallographica Section C: Structural Chemistry, 70, 132-136. Salvalaglio, M., Tiwary, P., & Parrinello, M. (2014). Assessing the reliability of the dynamics reconstructed from metadynamics. Journal of Chemical Theory and Computation, 10, 1420-1425. Giberti, F., Salvalaglio, M., Mazzotti, M., & Parrinello, M. (2014). Insight into the nucleation of urea crystals from the melt. Chemical Engineering Science, 121, 51-59. Salvalaglio, M., Vetter, T., Mazzotti, M., & Parrinello, M. (2013). Controlling and predicting crystal shapes: The case of urea. Angewandte Chemie International Edition, 52, 13369-13372. Salvalaglio, M., & Cavallotti, C. (2012). Molecular modeling to rationalize ligand–support interactions in affinity chromatography. Journal of separation science, 35, 7-19. Cavallotti, C., & Salvalaglio, M. (2012). Molecular modelling of the Affinity Chromatography of Proteins-Status and perspectives. Chimica Oggi—Chemistry Today, 30, 16-19. Salvalaglio, M., Vetter, T., Giberti, F., Mazzotti, M., & Parrinello, M. (2012). Uncovering molecular details of urea crystal growth in the presence of additives. Journal of the American Chemical Society, 134, 17221-17233. Casalini, T., Salvalaglio, M., Perale, G., Masi, M., & Cavallotti, C. (2011). Diffusion and aggregation of sodium fluorescein in aqueous solutions. The Journal of Physical Chemistry B, 115, 12896-12904. Dinon, F., Salvalaglio, M., Gallotta, A., Beneduce, L., Pengo, P., Cavallotti, C., & Fassina, G. (2011). Structural refinement of protein A mimetic peptide. Journal of Molecular Recognition, 24, 1087-1094. Salvalaglio, M., Muscionico, I., & Cavallotti, C. (2010). Determination of energies and sites of binding of PFOA and PFOS to human serum albumin. The Journal of Physical Chemistry B, 114, 14860-14874. Zamolo, L., Salvalaglio, M., Cavallotti, C., Galarza, B., Sadler, C., Williams, S., . . . Lindner, W. (2010). Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies. The Journal of Physical Chemistry B, 114, 9367-9380.