MiMiC: Multiscale Modeling in Computational Chemistry

od Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, Paolo Carloni, Ursula Rothlisberger
Izdano 2020-03-01

On the zwitterionic nature of gas-phase peptides and protein ions.

od Roberto Marchese, Rita Grandori, Paolo Carloni, Simone Raugei
Izdano 2010-05-01

Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution

od Linh Gia Hoang, Linh Gia Hoang, Jonas Goßen, Jonas Goßen, Riccardo Capelli, Toan T. Nguyen, Zhaoxi Sun, Ke Zuo, Ke Zuo, Ke Zuo, Jörg B. Schulz, Jörg B. Schulz, Giulia Rossetti, Giulia Rossetti, Giulia Rossetti, Paolo Carloni, Paolo Carloni, Paolo Carloni
Izdano 2022-04-01

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

od Paolo Carloni, Mauro Giacca, Giulia Rossetti, Sergio Pantano, Vo Cam Quy
Izdano 2012-08-01

Molecular simulation-based structural prediction of protein complexes in mass spectrometry: the human insulin dimer.

od Jinyu Li, Giulia Rossetti, Jens Dreyer, Simone Raugei, Emiliano Ippoliti, Bernhard Lüscher, Paolo Carloni
Izdano 2014-09-01

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

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

Role of Tyr-39 for the Structural Features of α-Synuclein and for the Interaction with a Strong Modulator of Its Amyloid Assembly

od Oscar Palomino-Hernandez, Fiamma A. Buratti, Pamela S. Sacco, Giulia Rossetti, Paolo Carloni, Claudio O. Fernandez
Izdano 2020-07-01

An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters

od Henri-Baptiste Marjault, Ola Karmi, Ke Zuo, Dorit Michaeli, Yael Eisenberg-Domovich, Giulia Rossetti, Benoit de Chassey, Jacky Vonderscher, Ioav Cabantchik, Paolo Carloni, Ron Mittler, Oded Livnah, Eric Meldrum, Rachel Nechushtai
Izdano 2022-05-01