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ORCIDMarta Filizola
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2020 – today
- 2023
[j20]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): 5056-5065 (2023)- 2022
- [j19]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): 5607-5621 (2022)
2010 – 2019
- 2019
- [j18]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) - 2016
- [j17]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) - 2015
- [j16]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): 1836-1843 (2015) - [j15]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) - 2013
- [j14]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): 521-526 (2013) - 2012
- [j13]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): 1005-1015 (2012) - [j12]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) - 2011
- [j11]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) - 2010
- [j10]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): 1804-1805 (2010)
2000 – 2009
- 2007
- [j9]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) - [j8]Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein:
Modeling activated states of GPCRs: the rhodopsin template. J. Comput. Aided Mol. Des. 21(7): 419 (2007) - 2006
- [j7]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): 97-107 (2006) - [j6]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): 405-416 (2006) - [j5]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): 437-448 (2006) - 2001
- [j4]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): 297-307 (2001) - [j3]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): 2018-2027 (2001)
1990 – 1999
- 1999
- [j2]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): 397-407 (1999) - 1998
- [j1]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): 111-118 (1998)
Coauthor Index
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