Marta Filizola

Publication Activity (10 Years)

Years Active: 1998-2023
Publications (10 Years): 6

Top Topics

Discovery Process

Functional Units

Discover Hidden

Virtual Screening

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

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
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. J. Chem. Inf. Model. 63 (16) (2023)
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
Structure-Based Discovery of a Novel Class of Small-Molecule Pure Antagonists of Integrin αVβ3. J. Chem. Inf. Model. 62 (22) (2022)
Xiaohu Hu, Yibo Wang, Amanda Hunkele, Davide Provasi, Gavril W. Pasternak, Marta Filizola
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis. PLoS Comput. Biol. 15 (1) (2019)
Kristen A. Marino, Diego Prada-Gracia, Davide Provasi, Marta Filizola
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. 12 (12) (2016)
Davide Provasi, Mustafa Burak Boz, Jennifer M. Johnston, Marta Filizola
Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association. PLoS Comput. Biol. 11 (3) (2015)
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
Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor. J. Chem. Inf. Model. 55 (9) (2015)
Ana Negri, Marie-Laure Rives, Michael J. Caspers, Thomas E. Prisinzano, Jonathan A. Javitch, Marta Filizola
Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening. J. Chem. Inf. Model. 53 (3) (2013)
Jennifer M. Johnston, Hao Wang, Davide Provasi, Marta Filizola
Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors. PLoS Comput. Biol. 8 (8) (2012)
Ana Negri, Jihong Li, Sarasija Naini, Barry S. Coller, Marta Filizola
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. 26 (9) (2012)
Davide Provasi, Marta Camacho-Artacho, Ana Negri, Juan Carlos Mobarec, Marta Filizola
Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques. PLoS Comput. Biol. 7 (10) (2011)
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
GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base. Bioinform. 26 (14) (2010)
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
Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base. BMC Bioinform. 8 (2007)
Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein
Modeling activated states of GPCRs: the rhodopsin template. J. Comput. Aided Mol. Des. 21 (7) (2007)
Marta Filizola, Simon X. Wang, Harel Weinstein
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. 20 (7-8) (2006)
Mihaly Mezei, Marta Filizola
TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations. J. Comput. Aided Mol. Des. 20 (2) (2006)
Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein
Modeling activated states of GPCRs: the rhodopsin template. J. Comput. Aided Mol. Des. 20 (7-8) (2006)
Marta Filizola, Hugo O. Villar, Gilda H. Loew
Differentiation of delta, µ, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties. J. Comput. Aided Mol. Des. 15 (4) (2001)
Marta Filizola, Silvina M. Tasso, Gilda H. Loew, Hugo O. Villar
Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors. J. Comput. Chem. 22 (16) (2001)
Marta Filizola, Maria Cartenì-Farina, Juan Jesús Pérez
Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors. J. Comput. Aided Mol. Des. 13 (4) (1999)
Marta Filizola, Juan Jesús Pérez, Maria Cartenì-Farina
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors. J. Comput. Aided Mol. Des. 12 (2) (1998)