Marta Filizola

21 papers Journal 21
YearRankTypeTitle / Venue / Authors
2026 J jnl
BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects across Class A GPCRs.
J. Chem. Inf. Model.
Davide Provasi, Kirill Konovalov, Nicholas Riina, Olivia Cullen, Marta Filizola
2023 J jnl
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.
J. Chem. Inf. Model.
Leslie Salas-Estrada, Davide Provasi, Xing Qiu, Husnu Ümit Kaniskan, Xi-Ping Huang, Jeffrey F. Diberto, João Marcelo Lamim Ribeiro, Jian Jin, Bryan L. Roth, Marta Filizola
2022 J jnl
Structure-Based Discovery of a Novel Class of Small-Molecule Pure Antagonists of Integrin αVβ3.
J. Chem. Inf. Model.
Soumyo Sen, Aleksandar Spasic, Anjana Sinha, Jialing Wang, Martin Bush, Jihong Li, Dragana Nesic, Yuchen Zhou, Gabriella Angiulli, Paul Morgan, Leslie Salas-Estrada, Junichi Takagi, Thomas Walz, Barry S. Coller, Marta Filizola
2019 J jnl
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis.
PLoS Comput. Biol.
Xiaohu Hu, Yibo Wang, Amanda Hunkele, Davide Provasi, Gavril W. Pasternak, Marta Filizola
2016 J jnl
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.
Kristen A. Marino, Diego Prada-Gracia, Davide Provasi, Marta Filizola
2015 J jnl
Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor.
J. Chem. Inf. Model.
Paola Bisignano, Neil T. Burford, Yi Shang, Brennica Marlow, Kathryn E. Livingston, Abigail M. Fenton, Kristin Rockwell, Lauren Budenholzer, John R. Traynor, Samuel W. Gerritz, Andrew Alt, Marta Filizola
2015 J jnl
Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association.
PLoS Comput. Biol.
Davide Provasi, Mustafa Burak Boz, Jennifer M. Johnston, Marta Filizola
2013 J jnl
Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening.
J. Chem. Inf. Model.
Ana Negri, Marie-Laure Rives, Michael J. Caspers, Thomas E. Prisinzano, Jonathan A. Javitch, Marta Filizola
2012 J jnl
Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors.
PLoS Comput. Biol.
Jennifer M. Johnston, Hao Wang, Davide Provasi, Marta Filizola
2012 J jnl
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.
Ana Negri, Jihong Li, Sarasija Naini, Barry S. Coller, Marta Filizola
2011 J jnl
Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques.
PLoS Comput. Biol.
Davide Provasi, Marta Camacho-Artacho, Ana Negri, Juan Carlos Mobarec, Marta Filizola
2010 J jnl
GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base.
Bioinform.
George Khelashvili, Kevin C. Dorff, Jufang Shan, Marta Camacho-Artacho, Lucy Skrabanek, Bas Vroling, Michel Bouvier, Lakshmi Devi, Susan R. George, Jonathan A. Javitch, Martin J. Lohse, Graeme Milligan, Richard R. Neubig, Krzysztof Palczewski, Marc Parmentier, Jean-Philippe Pin, Gerrit Vriend, Fabien Campagne, Marta Filizola
2007 J jnl
Modeling activated states of GPCRs: the rhodopsin template.
J. Comput. Aided Mol. Des.
Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein
2007 J jnl
Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base.
BMC Bioinform.
Lucy Skrabanek, Marta Murcia, Michel Bouvier, Lakshmi Devi, Susan R. George, Martin J. Lohse, Graeme Milligan, Richard R. Neubig, Krzysztof Palczewski, Marc Parmentier, Jean-Philippe Pin, Gerrit Vriend, Jonathan A. Javitch, Fabien Campagne, Marta Filizola
2006 J jnl
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.
Marta Filizola, Simon X. Wang, Harel Weinstein
2006 J jnl
Modeling activated states of GPCRs: the rhodopsin template.
J. Comput. Aided Mol. Des.
Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein
2006 J jnl
TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations.
J. Comput. Aided Mol. Des.
Mihaly Mezei, Marta Filizola
2001 J jnl
Differentiation of delta, µ, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties.
J. Comput. Aided Mol. Des.
Marta Filizola, Hugo O. Villar, Gilda H. Loew
2001 J jnl
Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors.
J. Comput. Chem.
Marta Filizola, Silvina M. Tasso, Gilda H. Loew, Hugo O. Villar
1999 J jnl
Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors.
J. Comput. Aided Mol. Des.
Marta Filizola, Maria Cartenì-Farina, Juan Jesús Pérez
1998 J jnl
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors.
J. Comput. Aided Mol. Des.
Marta Filizola, Juan Jesús Pérez, Maria Cartenì-Farina