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Journal of Medicinal Chemistry|December 14, 2016
Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse LiabilityRachel Saylor Crowley, Andrew P Riley, Alexander M Sherwood, et al.Protein Engineering|January 23, 2003
Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation methodMarta Filizola, Osvaldo Olmea, Harel WeinsteinFrontiers in Molecular Neuroscience|September 12, 2019
Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use DisordersJoão Marcelo Lamim Ribeiro, Marta FilizolaProceedings of the National Academy of Sciences of the United States of America|January 24, 2013
Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopyNicolas Coudray, Salvatore Valvo, Minghui Hu, et al.Journal of Medicinal Chemistry|July 25, 2009
Modern homology modeling of G-protein coupled receptors: which structural template to use?Juan Carlos Mobarec, Roberto Sanchez, Marta FilizolaJournal of Computer-Aided Molecular Design|November 8, 2006
Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayerMarta Filizola, Simon X Wang, Harel WeinsteinBritish Journal of Pharmacology|March 8, 2017
Insights into the function of opioid receptors from molecular dynamics simulations of available crystal structuresKristen A Marino, Yi Shang, Marta FilizolaFrontiers in Endocrinology|January 9, 2023
Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligandsLeslie Salas-Estrada, Bianca Fiorillo, Marta FilizolaThe Journal of Physical Chemistry. B|August 24, 2007
Optical absorption of a green fluorescent protein variant: environment effects in a density functional studyCarlo Camilloni, Davide Provasi, Guido Tiana, et al.Proteins|December 14, 2007
Exploring the protein G helix free-energy surface by solute tempering metadynamicsCarlo Camilloni, Davide Provasi, Guido Tiana, et al.Pageof 13