Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA(2A)R in Nearly Physiological Conditions

por Cao, Ruyin, Rossetti, Giulia, Bauer, Andreas, CarIoni, Paolo
Publicado 2015

Structural Determinants of the Prion Protein N-Terminus and Its Adducts with Copper Ions

por Sánchez-López, Carolina, Rossetti, Giulia, Quintanar, Liliana, Carloni, Paolo
Publicado 2018

Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding

por Berdnikova, Daria V., Carloni, Paolo, Krauß, Sybille, Rossetti, Giulia
Publicado 2021

SPEADI: Accelerated Analysis of IDP-Ion Interactions from MD-Trajectories

por de Bruyn, Emile, Dorn, Anton Emil, Zimmermann, Olav, Rossetti, Giulia
Publicado 2023

Structural prediction of the interaction of the tumor suppressor p27(KIP1) with cyclin A/CDK2 identifies a novel catalytically relevant determinant

por Li, Jinyu, Vervoorts, Jörg, Carloni, Paolo, Rossetti, Giulia, Lüscher, Bernhard
Publicado 2017

HIV-1 Tat Binding to PCAF Bromodomain: Structural Determinants from Computational Methods

por Quy, Vo Cam, Pantano, Sergio, Rossetti, Giulia, Giacca, Mauro, Carloni, Paolo
Publicado 2012

Effect of in vivo post-translational modifications of the HMGB1 protein upon binding to platinated DNA: a molecular simulation study

por (Lv), Wenping Lyu, Arnesano, Fabio, Carloni, Paolo, Natile, Giovanni, Rossetti, Giulia
Publicado 2018

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

por Li, Jinyu, Flick, Franziska, Verheugd, Patricia, Carloni, Paolo, Lüscher, Bernhard, Rossetti, Giulia
Publicado 2015

Unifying view of mechanical and functional hotspots across class A GPCRs

por Ponzoni, Luca, Rossetti, Giulia, Maggi, Luca, Giorgetti, Alejandro, Carloni, Paolo, Micheletti, Cristian
Publicado 2017

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

por Cao, Ruyin, Giorgetti, Alejandro, Bauer, Andreas, Neumaier, Bernd, Rossetti, Giulia, Carloni, Paolo
Publicado 2018

The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

por Lai, Hien T. T., Giorgetti, Alejandro, Rossetti, Giulia, Nguyen, Toan T., Carloni, Paolo, Kranjc, Agata
Publicado 2021

Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail

por Paulikat, Mirko, Piccini, GiovanniMaria, Ippoliti, Emiliano, Rossetti, Giulia, Arnesano, Fabio, Carloni, Paolo
Publicado 2023

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

por Si Chaib, Zeineb, Marchetto, Alessandro, Dishnica, Klevia, Carloni, Paolo, Giorgetti, Alejandro, Rossetti, Giulia
Publicado 2020

Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction

por D’Arrigo, Giulia, Gianquinto, Eleonora, Rossetti, Giulia, Cruciani, Gabriele, Lorenzetti, Stefano, Spyrakis, Francesca
Publicado 2021

Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer

por Li, Jinyu, Rossetti, Giulia, Dreyer, Jens, Raugei, Simone, Ippoliti, Emiliano, Lüscher, Bernhard, Carloni, Paolo
Publicado 2014

The structural impact of DNA mismatches

por Rossetti, Giulia, Dans, Pablo D., Gomez-Pinto, Irene, Ivani, Ivan, Gonzalez, Carlos, Orozco, Modesto
Publicado 2015

Sustained clinical response after single course of rituximab as first-line monotherapy in adult-onset asthma and periocular xanthogranulomas syndrome associated with IgG4-related d...

por Pomponio, Giovanni, Olivari, Diletta, Mattioli, Massimo, Angeletti, Alessia, Rossetti, Giulia, Goteri, Gaia, Gabrielli, Armando
Publicado 2018

The two redox states of the human NEET proteins’ [2Fe–2S] clusters

por Zuo, Ke, Marjault, Henri-Baptiste, Bren, Kara L., Rossetti, Giulia, Nechushtai, Rachel, Carloni, Paolo
Publicado 2021

AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology

por Goßen, Jonas, Ribeiro, Rui Pedro, Bier, Dirk, Neumaier, Bernd, Carloni, Paolo, Giorgetti, Alejandro, Rossetti, Giulia
Publicado 2023

Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics

por Villar-Piqué, Anna, Rossetti, Giulia, Ventura, Salvador, Carloni, Paolo, Fernández, Claudio O., Outeiro, Tiago Fleming
Publicado 2017