Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes.

by Michael Leguèbe, Chuong Nguyen, Luciana Capece, Zung Hoang, Alejandro Giorgetti, Paolo Carloni
Published 2012-01-01

Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors

by Filippo Baldessari, Riccardo Capelli, Paolo Carloni, Alejandro Giorgetti
Published 2020-01-01

Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes

by Jakob Schneider, Jakob Schneider, Jakob Schneider, Rui Ribeiro, Mercedes Alfonso-Prieto, Mercedes Alfonso-Prieto, Paolo Carloni, Paolo Carloni, Paolo Carloni, Alejandro Giorgetti, Alejandro Giorgetti
Published 2020-09-01

Agonist Binding to Chemosensory Receptors: A Systematic Bioinformatics Analysis

by Fabrizio Fierro, Eda Suku, Mercedes Alfonso-Prieto, Mercedes Alfonso-Prieto, Alejandro Giorgetti, Alejandro Giorgetti, Sven Cichon, Sven Cichon, Sven Cichon, Paolo Carloni, Paolo Carloni, Paolo Carloni
Published 2017-09-01

Multi-scale simulations of membrane proteins: The case of bitter taste receptors

by Eda Suku, Fabrizio Fierro, Alejandro Giorgetti, Mercedes Alfonso-Prieto, Paolo Carloni
Published 2017-03-01

Unifying view of mechanical and functional hotspots across class A GPCRs.

by Luca Ponzoni, Giulia Rossetti, Luca Maggi, Alejandro Giorgetti, Paolo Carloni, Cristian Micheletti
Published 2017-02-01

GOMoDo: A GPCRs online modeling and docking webserver.

by Massimo Sandal, Tran Phuoc Duy, Matteo Cona, Hoang Zung, Paolo Carloni, Francesco Musiani, Alejandro Giorgetti
Published 2013-01-01

Common evolutionary binding mode of rhodopsin-like GPCRs: Insights from structural bioinformatics

by Eda Suku, Alejandro Giorgetti
Published 2017-09-01

Coarse-grained/molecular mechanics of the TAS2R38 bitter taste receptor: experimentally-validated detailed structural prediction of agonist binding.

by Alessandro Marchiori, Luciana Capece, Alejandro Giorgetti, Paolo Gasparini, Maik Behrens, Paolo Carloni, Wolfgang Meyerhof
Published 2013-01-01

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

by Ruyin Cao, Alejandro Giorgetti, Andreas Bauer, Bernd Neumaier, Giulia Rossetti, Paolo Carloni
Published 2018-10-01

Evidence of Alternative Splicing as a Regulatory Mechanism for Kissr2 in Pejerrey Fish

by Alejandro S. Mechaly, M. Oswaldo Tovar Bohórquez, Ariel E. Mechaly, Eda Suku, María Rita Pérez, Alejandro Giorgetti, Guillermo Ortí, Jordi Viñas, Gustavo M. Somoza
Published 2018-10-01