Search filters

List of works by Simone Conti

A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems

scientific article published on 01 September 2020

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

scientific article published on 15 December 2014

Accurate and Efficient Calculation of the Desorption Energy of Small Molecules from Graphene

Cover Picture: Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene (ChemPhysChem 3/2016)

Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning

article

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)

Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio

scientific article published in February 2018

Modelling the effect of osmolytes on peptide mechanical unfolding

Molecular insights into the stabilization of protein–protein interactions with small molecule: The FKBP12–rapamycin–FRB case study

article published in 2013

Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV

scientific article published on 20 April 2022

On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations

scientific article published in 2022

Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene

Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene.

scientific article published on 14 December 2015

Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach

scientific article published on 9 November 2016

Surface-Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface

article published in 2015

Surface-induced selection during in situ photoswitching at the solid/liquid interface

scientific article

Paulina is supported by:

About Paulina

Help