High throughput molecular dynamics for drug discovery

Por Stanley, Nathaniel, De Fabritiis, Gianni
Publicado no In Silico Pharmacol (2015)

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

Por Buch, Ignasi, Giorgino, Toni, De Fabritiis, Gianni
Publicado em 2011

Kinetic characterization of the critical step in HIV-1 protease maturation

Por Sadiq, S. Kashif, Noé, Frank, De Fabritiis, Gianni
Publicado em 2012

Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors

Por Selent, Jana, Sanz, Ferran, Pastor, Manuel, De Fabritiis, Gianni
Publicado em 2010

Multibody cofactor and substrate molecular recognition in the myo-inositol monophosphatase enzyme

Por Ferruz, Noelia, Tresadern, Gary, Pineda-Lucena, Antonio, De Fabritiis, Gianni
Publicado no Sci Rep (2016)

Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

Por Bruno, Agostino, Costantino, Gabriele, de Fabritiis, Gianni, Pastor, Manuel, Selent, Jana
Publicado em 2012

Correction: Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

Por Bruno, Agostino, Costantino, Gabriele, de Fabritiis, Gianni, Pastor, Manuel, Selent, Jana
Publicado em 2012

Dynamic and Kinetic Elements of µ-Opioid Receptor Functional Selectivity

Por Kapoor, Abhijeet, Martinez-Rosell, Gerard, Provasi, Davide, de Fabritiis, Gianni, Filizola, Marta
Publicado no Sci Rep (2017)

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP(2)-Regulated Dynamics of the N-Terminus

Por Khelashvili, George, Stanley, Nathaniel, Sahai, Michelle A., Medina, Jaime, LeVine, Michael V., Shi, Lei, De Fabritiis, Gianni, Weinstein, Harel
Publicado no ACS Chem Neurosci (2015)

Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs

Por Ferruz, Noelia, Doerr, Stefan, Vanase-Frawley, Michelle A., Zou, Yaozhong, Chen, Xiaomin, Marr, Eric S., Nelson, Robin T., Kormos, Bethany L., Wager, Travis T., Hou, Xinjun, Villalobos, Anabella, Sciabola, Simone, De Fabritiis, Gianni
Publicado no Sci Rep (2018)

Regulation of androgen receptor activity by transient interactions of its transactivation domain with general transcription regulators

Por De Mol, Eva, Szulc, Elzbieta, Di Sanza, Claudio, Martínez-Cristóbal, Paula, Bertoncini, Carlos W., Fenwick, R. Bryn, Frigolé-Vivas, Marta, Masín, Marianela, Hunter, Irene, Buzón, Víctor, Brun-Heath, Isabelle, García, Jesús, De Fabritiis, Gianni, Estébanez-Perpiñá, Eva, McEwan, Iain J., Nebreda, Ángel R., Salvatella, Xavier
Publicado no Structure (2017)