Editorial: Machine Learning in Biomolecular Simulations

por Verkhivker, Gennady, Spiwok, Vojtech, Gervasio, Francesco Luigi
Publicado 2019

Unravelling the effect of the E545K mutation on PI3Kα kinase

por Galdadas, Ioannis, Gervasio, Francesco Luigi, Cournia, Zoe
Publicado 2020

OneOPES, a Combined Enhanced Sampling Method to Rule Them All

por Rizzi, Valerio, Aureli, Simone, Ansari, Narjes, Gervasio, Francesco Luigi
Publicado 2023

Multiple Routes and Milestones in the Folding of HIV–1 Protease Monomer

por Bonomi, Massimiliano, Barducci, Alessandro, Gervasio, Francesco L., Parrinello, Michele
Publicado 2010

Investigating allosteric effects on the functional dynamics of β2-adrenergic ternary complexes with enhanced-sampling simulations

por Saleh, Noureldin, Saladino, Giorgio, Gervasio, Francesco Luigi, Clark, Timothy
Publicado 2017

A combined activation mechanism for the glucagon receptor

por Mattedi, Giulio, Acosta-Gutiérrez, Silvia, Clark, Timothy, Gervasio, Francesco Luigi
Publicado 2020

Importance of the Force Field Choice in Capturing Functionally Relevant Dynamics in the von Willebrand Factor

por Kuzmanic, Antonija, Pritchard, Ruth B., Hansen, D. Flemming, Gervasio, Francesco L.
Publicado 2019

Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8

por Shukla, Vaibhav Kumar, Siemons, Lucas, Gervasio, Francesco L., Hansen, D. Flemming
Publicado 2021

Subcellular location defines GPCR signal transduction

por Radoux-Mergault, Arthur, Oberhauser, Lucie, Aureli, Simone, Gervasio, Francesco Luigi, Stoeber, Miriam
Publicado 2023

Understanding Ligand Binding Selectivity in a Prototypical GPCR Family

por Mattedi, Giulio, Deflorian, Francesca, Mason, Jonathan S., de Graaf, Chris, Gervasio, Francesco L.
Publicado 2019

Insight into the Folding Inhibition of the HIV-1 Protease by a Small Peptide

por Bonomi, Massimiliano, Gervasio, Francesco L., Tiana, Guido, Provasi, Davide, Broglia, Ricardo A., Parrinello, Michele
Publicado 2007

Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations

por Kuzmanic, Antonija, Sutto, Ludovico, Saladino, Giorgio, Nebreda, Angel R, Gervasio, Francesco L, Orozco, Modesto
Publicado 2017

Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation

por Noble Jesus, Carlos, Evans, Rhys, Forth, Joe, Estarellas, Carolina, Gervasio, Francesco Luigi, Battaglia, Giuseppe
Publicado 2021

A different perspective for nonphotochemical quenching in plant antenna complexes

por Cignoni, Edoardo, Lapillo, Margherita, Cupellini, Lorenzo, Acosta-Gutiérrez, Silvia, Gervasio, Francesco Luigi, Mennucci, Benedetta
Publicado 2021

The SH2 Domain Regulates c-Abl Kinase Activation by a Cyclin-Like Mechanism and Remodulation of the Hinge Motion

por Dölker, Nicole, Górna, Maria W., Sutto, Ludovico, Torralba, Antonio S., Superti-Furga, Giulio, Gervasio, Francesco L.
Publicado 2014

Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies

por Evans, Rhys, Hovan, Ladislav, Tribello, Gareth A., Cossins, Benjamin P., Estarellas, Carolina, Gervasio, Francesco L.
Publicado 2020

Structural basis of the effect of activating mutations on the EGF receptor

por Galdadas, Ioannis, Carlino, Luca, Ward, Richard A, Hughes, Samantha J, Haider, Shozeb, Gervasio, Francesco Luigi
Publicado 2021

Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics

por Lovera, Silvia, Morando, Maria, Pucheta-Martinez, Encarna, Martinez-Torrecuadrada, Jorge L., Saladino, Giorgio, Gervasio, Francesco L.
Publicado 2015

Molecular engineering of polymersome surface topology

por Ruiz-Pérez, Lorena, Messager, Lea, Gaitzsch, Jens, Joseph, Adrian, Sutto, Ludovico, Gervasio, Francesco Luigi, Battaglia, Giuseppe
Publicado 2016

Structure and Dynamics of the EGF Receptor as Revealed by Experiments and Simulations and Its Relevance to Non-Small Cell Lung Cancer

por Martin-Fernandez, Marisa L., Clarke, David T., Roberts, Selene K., Zanetti-Domingues, Laura C., Gervasio, Francesco L.
Publicado 2019