Marta Filizola
Orcid: 0000-0002-4382-8276
According to our database1,
Marta Filizola
authored at least 19 papers
between 1998 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2023
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.
J. Chem. Inf. Model., August, 2023
2022
Structure-Based Discovery of a Novel Class of Small-Molecule Pure Antagonists of Integrin αVβ3.
J. Chem. Inf. Model., 2022
2019
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis.
PLoS Comput. Biol., 2019
2016
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model.
PLoS Comput. Biol., 2016
2015
Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association.
PLoS Comput. Biol., 2015
Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor.
J. Chem. Inf. Model., 2015
2013
Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening.
J. Chem. Inf. Model., 2013
2012
PLoS Comput. Biol., 2012
Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand.
J. Comput. Aided Mol. Des., 2012
2011
Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques.
PLoS Comput. Biol., 2011
2010
2007
Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base.
BMC Bioinform., 2007
2006
J. Comput. Aided Mol. Des., 2006
TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations.
J. Comput. Aided Mol. Des., 2006
Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.
J. Comput. Aided Mol. Des., 2006
2001
Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors.
J. Comput. Chem., 2001
Differentiation of delta, µ, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties.
J. Comput. Aided Mol. Des., 2001
1999
Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors.
J. Comput. Aided Mol. Des., 1999
1998
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors.
J. Comput. Aided Mol. Des., 1998