Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods

Por Lai, Balder, Nagy, Gabor, Garate, Jose Antonio, Oostenbrink, Chris
Publicado em 2013

Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study

Por Marracino, Paolo, Liberti, Micaela, Trapani, Erika, Burnham, Christian J., Avena, Massimiliano, Garate, José-Antonio, Apollonio, Francesca, English, Niall J.
Publicado no Int J Mol Sci (2016)

Conformationally Constrained Lipid A Mimetics for Exploration of Structural Basis of TLR4/MD-2 Activation by Lipopolysaccharide

Por Artner, Daniel, Oblak, Alja, Ittig, Simon, Garate, Jose Antonio, Horvat, Simon, Arrieumerlou, Cécile, Hofinger, Andreas, Oostenbrink, Chris, Jerala, Roman, Kosma, Paul, Zamyatina, Alla
Publicado em 2013

Anti-endotoxic activity and structural basis for human MD-2·TLR4 antagonism of tetraacylated lipid A mimetics based on βGlcN(1↔1)αGlcN scaffold

Por Garate, Jose Antonio, Stöckl, Johannes, del Carmen Fernández-Alonso, María, Artner, Daniel, Haegman, Mira, Oostenbrink, Chris, Jiménez-Barbero, Jesús, Beyaert, Rudi, Heine, Holger, Kosma, Paul, Zamyatina, Alla
Publicado no Innate Immun (2015)

Characterization of a Novel Water Pocket Inside the Human Cx26 Hemichannel Structure

Por Araya-Secchi, Raul, Perez-Acle, Tomas, Kang, Seung-gu, Huynh, Tien, Bernardin, Alejandro, Escalona, Yerko, Garate, Jose-Antonio, Martínez, Agustin D., García, Isaac E., Sáez, Juan C., Zhou, Ruhong
Publicado em 2014