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Simone Conti, Ph.D. - Publications

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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18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Felline A, Conti S, Seeber M, Cecchini M, Fanelli F. Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles. Computational and Structural Biotechnology Journal. 21: 1390-1402. PMID 36817953 DOI: 10.1016/j.csbj.2023.01.026  0.469
2022 Conti S, Karplus M. A Computational Framework for Determining the Breadth of Antibodies Against Highly Mutable Pathogens. Methods in Molecular Biology (Clifton, N.J.). 2552: 399-408. PMID 36346605 DOI: 10.1007/978-1-0716-2609-2_22  0.309
2022 Conti S, Ovchinnikov V, Karplus M. ppdx: Automated modeling of protein-protein interaction descriptors for use with machine learning. Journal of Computational Chemistry. PMID 35930347 DOI: 10.1002/jcc.26974  0.365
2022 Conti S, Ovchinnikov V, Faris JG, Chakraborty AK, Karplus M, Sprenger KG. Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV. Plos Computational Biology. 18: e1009391. PMID 35442968 DOI: 10.1371/journal.pcbi.1009391  0.344
2021 Conti S, Kaczorowski KJ, Song G, Porter K, Andrabi R, Burton DR, Chakraborty AK, Karplus M. 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. PMID 33637649 DOI: 10.1073/pnas.2018338118  0.327
2020 Ovchinnikov V, Conti S, Karplus M. A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems. The Journal of Chemical Physics. 153: 121103. PMID 33003727 DOI: 10.1063/5.0018026  0.36
2020 Ovchinnikov V, Conti S, Lau EY, Lightstone FC, Karplus M. Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model. Journal of Chemical Theory and Computation. PMID 32045240 DOI: 10.1021/Acs.Jctc.9B01072  0.434
2019 Conti S, Karplus M. Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning. Plos Computational Biology. 15: e1006954. PMID 30970017 DOI: 10.1371/Journal.Pcbi.1006954  0.422
2018 Conti S, Cecchini M. 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. PMID 29388642 DOI: 10.1039/C7Cp08047F  0.612
2016 Conti S, Cecchini M. Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach. Physical Chemistry Chemical Physics : Pccp. 18: 31480-31493. PMID 27827496 DOI: 10.1039/C6Cp05249E  0.574
2016 Conti S, del Rosso MG, Ciesielski A, Weippert J, Böttcher A, Shin Y, Melinte G, Ersen O, Casiraghi C, Feng X, Müllen K, Kappes MM, Samorì P, Cecchini M. Cover Picture: Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene (ChemPhysChem 3/2016) Chemphyschem. 17: 328-328. DOI: 10.1002/Cphc.201600058  0.581
2015 Conti S, Del Rosso MG, Ciesielski A, Weippert J, Böttcher A, Shin Y, Melinte G, Ersen O, Casiraghi C, Feng X, Kappes MM, Samorì P, Müllen K, Cecchini M. Perchlorination of Coronene Enhances its Propensity to Self-Assembly on Graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26663716 DOI: 10.1002/Cphc.201501113  0.624
2015 Haar S, Ciesielski A, Clough J, Yang H, Mazzaro R, Richard F, Conti S, Merstorf N, Cecchini M, Morandi V, Casiraghi C, Samorì P. 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. PMID 25846682 DOI: 10.1002/Smll.201570083  0.556
2015 Bonacchi S, El Garah M, Ciesielski A, Herder M, Conti S, Cecchini M, Hecht S, Samorì P. Surface-induced selection during in situ photoswitching at the solid/liquid interface. Angewandte Chemie (International Ed. in English). 54: 4865-9. PMID 25728405 DOI: 10.1002/Anie.201412215  0.514
2015 Haar S, Ciesielski A, Clough J, Yang H, Mazzaro R, Richard F, Conti S, Merstorf N, Cecchini M, Morandi V, Casiraghi C, Samorì P. 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. PMID 25504589 DOI: 10.1002/Smll.201402745  0.581
2015 Conti S, Cecchini M. Accurate and Efficient Calculation of the Desorption Energy of Small Molecules from Graphene The Journal of Physical Chemistry C. 119: 1867-1879. DOI: 10.1021/Jp5104774  0.572
2013 Chaurasia S, Pieraccini S, De Gonda R, Conti S, Sironi M. Molecular insights into the stabilization of protein-protein interactions with small molecule: The FKBP12-rapamycin-FRB case study Chemical Physics Letters. 587: 68-74. DOI: 10.1016/J.Cplett.2013.09.042  0.544
2013 Pieraccini S, Conti S, Chaurasia S, Sironi M. Modelling the effect of osmolytes on peptide mechanical unfolding Chemical Physics Letters. 578: 138-143. DOI: 10.1016/J.Cplett.2013.06.008  0.533
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