Simone Conti
Harvard University
21 Papers
31 Citations
Simone Conti is an academic researcher from Harvard University. The author has contributed to research in topics: Graphene & Medicine. The author has an hindex of 7, co-authored 17 publications. Previous affiliations of Simone Conti include University of Strasbourg & University of Milan.
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Papers
Surface‐Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface
Sara Bonacchi,Mohamed El Garah,Artur Ciesielski,Martin Herder,Simone Conti,Marco Cecchini,Stefan Hecht,Paolo Samorì +7 more
TL;DR: A submolecularly resolved scanning tunneling microscopy study at the solid/liquid interface of the in situ reversible interconversion between two isomers of a diarylethene photoswitch, that is, open and closed form, self-assembled on a graphite surface.
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Accurate and Efficient Calculation of the Desorption Energy of Small Molecules from Graphene
Simone Conti,Marco Cecchini +1 more
TL;DR: In this article, the energy properties of molecular adsorption at nanostructured carbon materials have been investigated and the accurate determination of the adsorbate bin was determined. But the results were limited.
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Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site
Simone Conti,Kevin J. Kaczorowski,Ge Song,Katelyn Porter,Raiees Andrabi,Dennis R. Burton,Arup K. Chakraborty,Martin Karplus,Martin Karplus +8 more
TL;DR: In this paper, the authors set up a framework based on theory and modeling to design optimal panels of antigens to use in such a mixture, and characterized experimentally and are shown to be stable and to be recognized by known HIV antibodies.
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Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model.
Victor Ovchinnikov,Simone Conti,Edmond Y. Lau,Felice C. Lightstone,Martin Karplus,Martin Karplus +5 more
TL;DR: Applying the model to microsecond-long molecular dynamics simulations of several protein systems of varying complexity, it is found that the model simulation results are of comparable quality to those obtained from simulations of fully solvated systems, but at a reduced computational cost.
11
Molecular insights into the stabilization of protein–protein interactions with small molecule: The FKBP12–rapamycin–FRB case study
TL;DR: It is shown that rapamycin stabilizes the complex between FKBP12 and FRB by acting as a bridge between the two proteins; and the complex is stable only in the presence of Rapamycin.
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