Simone Conti, Ph.D.

Affiliations: 
2011-2013 Chemistry Università degli Studi di Milano, Italy, Milano, Lombardia, Italy 
 2013-2016 ISIS Université de Strasbourg 
 2016- Chemistry and Chemical Biology Harvard University, Cambridge, MA, United States 
Area:
molecular modeling, protein-protein interactions, self-assembly
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"Simone Conti"
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Publications

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Conti S, Kaczorowski KJ, Song G, et al. (2021) Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site. Proceedings of the National Academy of Sciences of the United States of America. 118
Ovchinnikov V, Conti S, Karplus M. (2020) A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems. The Journal of Chemical Physics. 153: 121103
Ovchinnikov V, Conti S, Lau EY, et al. (2020) Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model. Journal of Chemical Theory and Computation
Conti S, Karplus M. (2019) Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning. Plos Computational Biology. 15: e1006954
Conti S, Cecchini M. (2018) Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio. Physical Chemistry Chemical Physics : Pccp. 20: 9770-9779
Conti S, Cecchini M. (2016) Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach. Physical Chemistry Chemical Physics : Pccp. 18: 31480-31493
Conti S, Del Rosso MG, Ciesielski A, et al. (2015) Perchlorination of Coronene Enhances its Propensity to Self-Assembly on Graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Haar S, Ciesielski A, Clough J, et al. (2015) Graphene: a supramolecular strategy to leverage the liquid-phase exfoliation of graphene in the presence of surfactants: unraveling the role of the length of Fatty acids (small 14/2015). Small (Weinheim An Der Bergstrasse, Germany). 11: 1736
Bonacchi S, El Garah M, Ciesielski A, et al. (2015) Surface-induced selection during in situ photoswitching at the solid/liquid interface. Angewandte Chemie (International Ed. in English). 54: 4865-9
Haar S, Ciesielski A, Clough J, et al. (2015) A supramolecular strategy to leverage the liquid-phase exfoliation of graphene in the presence of surfactants: unraveling the role of the length of fatty acids. Small (Weinheim An Der Bergstrasse, Germany). 11: 1691-702
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