Publications by authors named "Simone Conti"

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Deciphering causes and behaviors: A recurrent pattern of tail injuries in hadrosaurid dinosaurs.
Filippo Bertozzo, Darren H Tanke, Simone Conti, Fabio Manucci, Gareth Arnott

iScience· November 2025

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Formulation and evaluation of alternative to beeswax for vegan lipsticks.
Manuela Loiacono, Luigi Padovano, Miryam Chiara Malacarne, Simone Conti, Enrico Caruso

Int J Cosmet Sci· August 2025

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Preemptive optimization of a clinical antibody for broad neutralization of SARS-CoV-2 variants and robustness against viral escape.
Fangqiang Zhu, Saravanan Rajan, Conor F Hayes, Ka Yin Kwong, Andre R Goncalves, Simone Conti

Sci Adv· March 2025

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Smart Biomechanical Adaptation Revealed by the Structure of Ostrich Limb Bones.
Simone Conti, Giuseppe Sala, Octavio Mateus

Biomimetics (Basel)· February 2023

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Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles.
Angelo Felline, Simone Conti, Michele Seeber, Marco Cecchini, Francesca Fanelli

Comput Struct Biotechnol J· January 2023

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Multibody analysis and soft tissue strength refute supersonic dinosaur tail.
Simone Conti, Emanuel Tschopp, Octávio Mateus, Andrea Zanoni, Pierangelo Masarati

Sci Rep· December 2022

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A Computational Framework for Determining the Breadth of Antibodies Against Highly Mutable Pathogens.
Simone Conti, Martin Karplus

Methods Mol Biol· November 2022

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ppdx: Automated modeling of protein-protein interaction descriptors for use with machine learning.
Simone Conti, Victor Ovchinnikov, Martin Karplus

J Comput Chem· September 2022

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Persulfurated Benzene-Cored Asterisks with π-Extended ThioNaphthyl Arms: Synthesis, Structural, Photophysical and Covalent Dynamic Properties.
Sapna Gahlot, Alessandro Gradone, Myriam Roy, Michel Giorgi, Simone Conti

Chemistry· August 2022

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On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations.
Simone Conti, Edmond Y Lau, Victor Ovchinnikov

Antibodies (Basel)· August 2022

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Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV.
Simone Conti, Victor Ovchinnikov, Jonathan G Faris, Arup K Chakraborty, Martin Karplus

PLoS Comput Biol· April 2022

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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

Proc Natl Acad Sci U S A· March 2021

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A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems.
Victor Ovchinnikov, Simone Conti, Martin Karplus

J Chem Phys· September 2020

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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

J Chem Theory Comput· March 2020

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Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning.
Simone Conti, Martin Karplus

PLoS Comput Biol· April 2019

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Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio.
Simone Conti, Marco Cecchini

Phys Chem Chem Phys· April 2018

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Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach.
Simone Conti, Marco Cecchini

Phys Chem Chem Phys· November 2016

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Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene.
Simone Conti, Maria G del Rosso, Artur Ciesielski, Jürgen Weippert, Artur Böttcher

Chemphyschem· February 2016

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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.
Sébastien Haar, Artur Ciesielski, Joseph Clough, Huafeng Yang, Raffaello Mazzaro, Simone Conti

Small· April 2015

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Surface-induced selection during in situ photoswitching at the solid/liquid interface.
Sara Bonacchi, Mohamed El Garah, Artur Ciesielski, Martin Herder, Simone Conti

Angew Chem Int Ed Engl· April 2015

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Enterobacteriaceae and pseudomonadaceae on the dorsum of the human tongue.
Simone Conti, Silvana Soléo Ferreira dos Santos, Cristiane Yumi Koga-Ito, Antonio Olavo Cardoso Jorge

J Appl Oral Sci· March 2010

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