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Contact information |
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Education/experience
Postdoctoral Researcher in Chemistry, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA (2016-2023)
Ph.D. in Chemistry, Institut de Science et d'Ingénierie Supramoléculaires (ISIS), Université de Strasbourg, Strasbourg, France (2016)
Master’s degree in Chemistry, Università degli Studi di Milano, Milano, Italy (2013)
Bachelor’s degree in Chemistry, Università degli Studi di Milano, Milano, Italy (2011)
Research interests
Physical chemist with a background in statistical thermodynamics and molecular modeling specializing in computer models and simulations of chemical and biological systems. My research has focused on biophysics (protein-protein interactions), computational immunology (vaccine design), and material chemistry (small molecule self-assembly on graphene).
Publications
S. Conti and M. Karplus. “A computational framework for determining the breadth of antibodies against highly mutable pathogens”. In press.
S. Conti, V. Ovchinnikov, and M. Karplus. “ppdx: automated modeling of protein-protein interaction descriptors for use with machine learning”. Journal of Computational Chemistry, 2022, 43(25), pp.1747-1757.
S. Conti, E. Y. Lau, and V. Ovchinnikov. “On the rapid calculation of binding affinities for antigen and antibody design and affinity maturation simulations”. Antibodies, 2022, 11(3), p. 51.
S. Conti, V. Ovchinnikov, J. G. Faris, A. K. Chakraborty, M. Karplus, and K. G. Sprenger. “Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV”. PLOS Computational Biology, 2022, 18(4), p.e1009391.
S. Conti, K. J. Kaczorowski, G. Song, K. Porter, R. Andrabi, D. R. Burton, A. K. Chakraborty, and M. Karplus. “Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site”. Proceedings of the National Academy of Sciences (PNAS), 2021, 118(9), p.e2018338118.
V. Ovchinnikov, S. Conti, and M. Karplus. “A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems”. The Journal of Chemical Physics, 2020, 153, p.121103.
V. Ovchinnikov, S. Conti, E. Y. Lau, F. C. Lightstone, and M. Karplus. “Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model”. Journal of Chemical Theory and Computation, 2020, 16(3), pp.1866–1881.
S. Conti and M. Karplus. “Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning”. PLOS Computational Biology, 2019, 15(4), p.e1006954
S. Conti and M. Cecchini. “Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio”. Physical Chemistry Chemical Physics (PCCP), 2018, 20, pp.9770-9779.
S. Conti and M. Cecchini. “Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach”. Physical Chemistry Chemical Physics (PCCP), 2016, 18, pp.31480-31493
S. Conti, M. G. del Rosso, A. Ciesielski, J. Weippert, A. Böttcher, Y. Shin, G. Melinte, O. Ersen, C. Casiraghi, X. Feng, K. Müllen, M. M. Kappes, P. Samorì, and M. Cecchini. “Perchlorination of coronene enhances its propensity to self-assembly on graphene”. ChemPhysChem, 2016, 17(3), pp.352-357
S. Bonacchi, M. El Garah, A. Ciesielski, M. Herder, S. Conti, M. Cecchini, S. Hecht, and P. Samorì. “Surface-induced selection during in situ photoswitching at the solid/liquid interface”. Angewandte Chemie International Edition, 2015, 54(16), pp.4865-4869.
S. Conti, M. Cecchini. “Accurate and efficient calculation of the desorption energy of small molecules from graphene”. The Journal of Physical Chemistry C, 2015, 119(4), pp.1867-1879.
S. Haar, A. Ciesielski, J. Clough, H. Yang, R. Mazzaro, F. Richard, S. Conti, N. Merstorf, M. Cecchini, V. Morandi, C. Casiraghi, and P. Samorì. “A supramolecular strategy to leverage the liquid-phase exfoliation of graphene in presence of surfactants: unraveling the role of the length of fatty acids”. Small, 2015, 11(14), pp.1736-1736.
S. Chaurasia, S. Pieraccini, R. de Gonda, S. Conti, M. Sironi. “Molecular insights into the stabilization of protein-protein interactions with small molecule: The FKBP12–rapamycin–FRB case study”. Chemical Physics Letters, 2013, 587, pp.68-74.
S. Pieraccini, S. Conti, S. Chaurasia, M. Sironi. “Modelling the effect of osmolytes on peptide mechanical unfolding”. Chemical Physics Letters, 2013, 578, pp.138-143.
Presentations
“Computational design of immunogens and vaccination protocols against highly mutable pathogens: HIV and Influenza Virus”. Università degli Studi di Milano, Italy; 2022.
“Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach,” CECAM workshop: Fabrication processes and molecular organization in organic thin films: theory and simulation meet experiments, Lecco, Italy; 2019.
“Elicit Broadly Neutralizing HIV Antibodies: Some Modeling Insights,” University of Strasbourg, France; 2017.
“Accurate and efficient calculation of the desorption energy of small molecules from graphene,” GraphITA 2015, Bologna, Italy; 2015.
“Adsorption of molecules on graphene: a semiempirical, empirical and DFT calculation approach,” Atelier de Modélisation des interactions intermoléculaires et molécule/surface, Strasbourg, France; 2014.