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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
952015
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
452015
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
272015
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
262016
Perchlorination of Coronene Enhances its Propensity for Self‐Assembly on Graphene
S Conti, MG Del Rosso, A Ciesielski, J Weippert, A Böttcher, Y Shin, ...
ChemPhysChem 17 (3), 352-357, 2016
252016
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
152019
Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site
S Conti, KJ Kaczorowski, G Song, K Porter, R Andrabi, DR Burton, ...
Proceedings of the National Academy of Sciences 118 (9), e2018338118, 2021
62021
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
62013
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
52020
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
42018
Modelling the effect of osmolytes on peptide mechanical unfolding
S Pieraccini, S Conti, S Chaurasia, M Sironi
Chemical Physics Letters 578, 138-143, 2013
42013
Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV
S Conti, V Ovchinnikov, JG Faris, AK Chakraborty, M Karplus, ...
PLoS Computational Biology 18 (4), e1009391, 2022
3*2022
ppdx: Automated modeling of protein–protein interaction descriptors for use with machine learning
S Conti, V Ovchinnikov, M Karplus
Journal of Computational Chemistry 43 (25), 1747-1757, 2022
12022
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
12020
Computational studies of molecular self-assembly at surfaces: from rational design to function
S Conti
Université de Strasbourg, 2016
12016
On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations
S Conti, EY Lau, V Ovchinnikov
Antibodies 11 (3), 51, 2022
2022
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