Simone Conti
Simone Conti
Department of Chemistry and Chemical Biology, Harvard University
Verified email at fas.harvard.edu
Title
Cited by
Cited by
Year
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
S Haar, A Ciesielski, J Clough, H Yang, R Mazzaro, F Richard, S Conti, ...
Small 11 (14), 1691-1702, 2015
752015
Surface‐Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface
S Bonacchi, M El Garah, A Ciesielski, M Herder, S Conti, M Cecchini, ...
Angewandte Chemie International Edition 54 (16), 4865-4869, 2015
412015
Accurate and efficient calculation of the desorption energy of small molecules from graphene
S Conti, M Cecchini
The Journal of Physical Chemistry C 119 (4), 1867-1879, 2015
222015
Perchlorination of coronene enhances its propensity for self-assembly on graphene
S Conti, MG del Rosso, A Ciesielski, J Weippert, A B÷ttcher, Y Shin, ...
ChemPhysChem 17 (3), 352-357, 2016
212016
Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach
S Conti, M Cecchini
Physical Chemistry Chemical Physics 18 (46), 31480-31493, 2016
152016
Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning
S Conti, M Karplus
PLoS computational biology 15 (4), e1006954, 2019
52019
Molecular insights into the stabilization of protein–protein interactions with small molecule: The FKBP12–rapamycin–FRB case study
S Chaurasia, S Pieraccini, R De Gonda, S Conti, M Sironi
Chemical Physics Letters 587, 68-74, 2013
52013
Modelling the effect of osmolytes on peptide mechanical unfolding
S Pieraccini, S Conti, S Chaurasia, M Sironi
Chemical Physics Letters 578, 138-143, 2013
52013
Modeling the adsorption equilibrium of small-molecules gases on graphene: effect of the volume to surface ratio
S Conti, M Cecchini
Physical Chemistry Chemical Physics 20 (15), 2018
32018
Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model
V Ovchinnikov, S Conti, EY Lau, FC Lightstone, M Karplus
Journal of Chemical Theory and Computation 16 (3), 1866-1881, 2020
12020
A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems
V Ovchinnikov, S Conti, M Karplus
The Journal of Chemical Physics 153 (12), 121103, 2020
2020
Computational studies of molecular self-assembly at surfaces: from rational design to function
S Conti
2016
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Articles 1–12