Works by Filizola, Marta

Results: 46

Membrane Driven Spatial Organization of GPCRs.

Published in:

Scientific Reports, 2013, p. 1, doi. 10.1038/srep02909

By:

Mondal, Sayan;
Johnston, Jennifer M.;
Hao Wang;
Khelashvili, George;
Filizola, Marta;
Weinstein, Harel

Publication type:

Article

Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52130-x

By:

Quintana-Feliciano, Richard;
Kottur, Jithesh;
Ni, Mi;
Ghosh, Rikhia;
Salas-Estrada, Leslie;
Ahlsen, Goran;
Rechkoblit, Olga;
Shapiro, Lawrence;
Filizola, Marta;
Fang, Gang;
Aggarwal, Aneel K.

Publication type:

Article

Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52130-x

By:

Quintana-Feliciano, Richard;
Kottur, Jithesh;
Ni, Mi;
Ghosh, Rikhia;
Salas-Estrada, Leslie;
Ahlsen, Goran;
Rechkoblit, Olga;
Shapiro, Lawrence;
Filizola, Marta;
Fang, Gang;
Aggarwal, Aneel K.

Publication type:

Article

Structural basis of positive allosteric modulation of metabotropic glutamate receptor activation and internalization.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50548-x

By:

Strauss, Alexa;
Gonzalez-Hernandez, Alberto J.;
Lee, Joon;
Abreu, Nohely;
Selvakumar, Purushotham;
Salas-Estrada, Leslie;
Kristt, Melanie;
Arefin, Anisul;
Huynh, Kevin;
Marx, Dagan C.;
Gilliland, Kristen;
Melancon, Bruce J.;
Filizola, Marta;
Meyerson, Joel;
Levitz, Joshua

Publication type:

Article

Structure-Guided Design of a High-Affinity Platelet Integrin αIIbβ3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS.

Published in:

Science Translational Medicine, 2012, v. 4, n. 125, p. 1, doi. 10.1126/scitranslmed.3003576

By:

Zhu, Jieqing;
Choi, Won-Seok;
McCoy, Joshua G.;
Negri, Ana;
Zhu, Jianghai;
Naini, Sarasija;
Li, Jihong;
Shen, Min;
Huang, Wenwei;
Bougie, Daniel;
Rasmussen, Mark;
Aster, Richard;
Thomas, Craig J.;
Filizola, Marta;
Springer, Timothy A.;
Coller, Barry S.

Publication type:

Article

Identification of a serotonin/glutamate receptor complex implicated in psychosis.

Published in:

Nature, 2008, v. 452, n. 7183, p. 93, doi. 10.1038/nature06612

By:

González-Maeso, Javier;
Ang, Rosalind L.;
Yuen, Tony;
Chan, Pokman;
Weisstaub, Noelia V.;
López-Giménez, Juan F.;
Mingming Zhou;
Okawa, Yuuya;
Callado, Luis F.;
Milligan, Graeme;
Gingrich, Jay A.;
Filizola, Marta;
Meana, J. Javier;
Sealfon, Stuart C.

Publication type:

Article

Implementation of an Online Reporting System to Identify Unprofessional Behaviors and Mistreatment Directed at Trainees at an Academic Medical Center.

Published in:

JAMA Network Open, 2022, v. 5, n. 12, p. e2244661, doi. 10.1001/jamanetworkopen.2022.44661

By:

Leitman, I. Michael;
Muller, David;
Miller, Sophie;
Hanss, Basil G.;
Catron, Thomas F.;
Cooper, William O.;
Filizola, Marta

Publication type:

Article

Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands.

Published in:

Frontiers in Endocrinology, 2022, v. 13, p. 1, doi. 10.3389/fendo.2022.1099715

By:

Salas-Estrada, Leslie;
Fiorillo, Bianca;
Filizola, Marta

Publication type:

Article

The study of G-protein coupled receptor oligomerization with computational modeling and bioinformatics.

Published in:

FEBS Journal, 2005, v. 272, n. 12, p. 2926, doi. 10.1111/j.1742-4658.2005.04730.x

By:

Filizola, Marta;
Weinstein, Harel

Publication type:

Article

Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model.

Published in:

PLoS Computational Biology, 2016, v. 12, n. 12, p. 1, doi. 10.1371/journal.pcbi.1005240

By:

Marino, Kristen A.;
Prada-Gracia, Diego;
Provasi, Davide;
Filizola, Marta

Publication type:

Article

Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1005, doi. 10.1007/s10822-012-9594-6

By:

Negri, Ana;
Li, Jihong;
Naini, Sarasija;
Coller, Barry;
Filizola, Marta

Publication type:

Article

Modeling activated states of GPCRs: the rhodopsin template.

Published in:

2007

By:

Niv, Masha;
Skrabanek, Lucy;
Filizola, Marta;
Weinstein, Harel

Publication type:

Correction Notice

Modeling activated states of GPCRs: the rhodopsin template.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 437, doi. 10.1007/s10822-006-9061-3

By:

Niv, Masha Y.;
Skrabanek, Lucy;
Filizola, Marta;
Weinstein, Harel

Publication type:

Article

Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 405, doi. 10.1007/s10822-006-9053-3

By:

Filizola, Marta;
Wang, Simon X.;
Weinstein, Harel

Publication type:

Article

Modeling activated states of GPCRs: the rhodopsin template.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 437, doi. 10.1007/s10822-006-9061-3

By:

Niv, Masha Y.;
Skrabanek, Lucy;
Filizola, Marta;
Weinstein, Harel

Publication type:

Article

TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 2, p. 97, doi. 10.1007/s10822-006-9039-1

By:

Mezei, Mihaly;
Filizola, Marta

Publication type:

Article

Structural models for dimerization of G-protein coupled receptors: The opioid receptor homodimers.

Published in:

Biopolymers, 2002, v. 66, n. 5, p. 317, doi. 10.1002/bip.10311

By:

Filizola, Marta;
Weinstein, Harel

Publication type:

Article

Bioactive peptides: Conformational studies of [TYR.

Published in:

Biopolymers, 1995, v. 36, n. 4, p. 453, doi. 10.1002/bip.360360408

By:

Saviano, Michele;
Rossi, Filomena;
Filizola, Marta;
Isernia, Carla;
Di Blasio, Benedetto;
Benedetti, Ettore;
Pedone, Carlo;
Siemion, Ignacy Z.;
Pedyczak, Artur

Publication type:

Article

Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors.

Published in:

eLife, 2021, p. 1, doi. 10.7554/eLife.67027

By:

Thibado, Jordana K.;
Tano, Jean-Yves;
Joon Lee;
Salas-Estrada, Leslie;
Provasi, Davide;
Strauss, Alexa;
Lamim Ribeiro, Joao Marcelo;
Guoqing Xiang;
Broichhagen, Johannes;
Filizola, Marta;
Lohse, Martin J.;
Levitz, Joshua

Publication type:

Article

Insights into the function of opioid receptors from molecular dynamics simulations of available crystal structures.

Published in:

2018

By:

Marino, Kristen A.;
Shang, Yi;
Filizola, Marta

Publication type:

journal article

Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method.

Published in:

Protein Engineering, 2002, v. 15, n. 11, p. 881, doi. 10.1093/protein/15.11.881

By:

Filizola, Marta;
Olmea, Osvaldo;
Weinstein, Harel

Publication type:

Article

Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders.

Published in:

Frontiers in Molecular Neuroscience, 2019, p. 1, doi. 10.3389/fnmol.2019.00207

By:

Ribeiro, João Marcelo Lamim;
Filizola, Marta

Publication type:

Article

Synthesis and Characterization of Photoswitchable Covalent Ligands for the β2‐Adrenoceptor.

Published in:

Angewandte Chemie, 2025, v. 137, n. 24, p. 1, doi. 10.1002/ange.202424038

By:

Wirth, Ulrike;
Neu, Eduard;
Provasi, Davide;
Feustel, Steffen;
Schmidt, Maximilian F.;
Hübner, Harald;
Weikert, Dorothée;
Filizola, Marta;
König, Burkhard;
Gmeiner, Peter

Publication type:

Article

GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base.

Published in:

Bioinformatics, 2010, v. 26, n. 14, p. 1804, doi. 10.1093/bioinformatics/btq264

By:

Khelashvili, George;
Dorff, Kevin;
Jufang Shan;
Camacho-Artacho, Marta;
Skrabanek, Lucy;
Vroling, Bas;
Bouvier, Michel;
Devi, Lakshmi A.;
George, Susan R.;
Javitch, Jonathan A.;
Lohse, Martin J.;
Milligan, Graeme;
Neubig, Richard R.;
Palczewski, Krzysztof;
Parmentier, Marc;
Pin, Jean-Philippe;
Vriend, Gerrit;
Campagne, Fabien;
Filizola, Marta

Publication type:

Article

Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors.

Published in:

Journal of Computational Chemistry, 2001, v. 22, n. 16, p. 2018, doi. 10.1002/jcc.1150

By:

Filizola, Marta;
Tasso, Silvina M.;
Loew, Gilda H.;
Villar, Hugo O.

Publication type:

Article

Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations.

Published in:

Proteins, 2014, v. 82, n. 12, p. 3231, doi. 10.1002/prot.24540

By:

Provasi, Davide;
Negri, Ana;
Coller, Barry S.;
Filizola, Marta

Publication type:

Article

Targeted molecular dynamics reveals overall common conformational changes upon hybrid domain swing-out in β3 integrins.

Published in:

Proteins, 2009, v. 77, n. 2, p. 477, doi. 10.1002/prot.22463

By:

Provasi, Davide;
Murcia, Marta;
Coller, Barry S.;
Filizola, Marta

Publication type:

Article

Functional and computational studies of the ligand-associated metal binding site of β3 integrins.

Published in:

Proteins, 2008, v. 71, n. 4, p. 1779, doi. 10.1002/prot.21859

By:

Murcia, Marta;
Jirouskova, Marketa;
Li, Jihong;
Coller, Barry S.;
Filizola, Marta

Publication type:

Article

Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis.

Published in:

Proteins, 2008, v. 71, n. 2, p. 575, doi. 10.1002/prot.21787

By:

Niv, Masha Y.;
Filizola, Marta

Publication type:

Article

Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base.

Published in:

BMC Bioinformatics, 2007, v. 8, p. 177, doi. 10.1186/1471-2105-8-177

By:

Skrabanek, Lucy;
Murcia, Marta;
Bouvier, Michel;
Devi, Lakshmi;
George, Susan R;
Lohse, Martin J;
Milligan, Graeme;
Neubig, Richard;
Palczewski, Krzysztof;
Parmentier, Marc;
Pin, Jean-Philippe;
Vriend, Gerrit;
Javitch, Jonathan A;
Campagne, Fabien;
Filizola, Marta

Publication type:

Article

Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association.

Published in:

PLoS Computational Biology, 2015, v. 11, n. 3, p. 1, doi. 10.1371/journal.pcbi.1004148

By:

Provasi, Davide;
Boz, Mustafa Burak;
Johnston, Jennifer M.;
Filizola, Marta

Publication type:

Article

Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors.

Published in:

PLoS Computational Biology, 2012, v. 8, n. 8, p. 1, doi. 10.1371/journal.pcbi.1002649

By:

Johnston, Jennifer M.;
Wang, Hao;
Provasi, Davide;
Filizola, Marta

Publication type:

Article

Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques.

Published in:

PLoS Computational Biology, 2011, v. 7, n. 10, p. 1, doi. 10.1371/journal.pcbi.1002193

By:

Provasi, Davide;
Artacho, Marta Camacho;
Negri, Ana;
Mobarec, Juan Carlos;
Filizola, Marta

Publication type:

Article

Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profiles.

Published in:

Biopolymers, 2014, v. 101, n. 1, p. 21, doi. 10.1002/bip.22251

By:

Scarabelli, Guido;
Provasi, Davide;
Negri, Ana;
Filizola, Marta

Publication type:

Article

Computational Study of the Conformational Domains of Peptide T.

Published in:

Journal of Peptide Science, 1997, v. 3, n. 2, p. 85, doi. 10.1002/(SICI)1099-1387(199703)3:2<85::AID-PSC84>3.0.CO;2-0

By:

Filizola, Marta;
Centeno, Nuria B.;
Perez, Juan J.

Publication type:

Article

Dopamine D2 receptors form higher order oligomers at physiological expression levels.

Published in:

EMBO Journal, 2008, v. 27, n. 17, p. 2293, doi. 10.1038/emboj.2008.153

By:

Wen Guo;
Urizar, Eneko;
Kralikova, Michaela;
Mobarec, Juan Carlos;
Shi, Lei;
Filizola, Marta;
Javitch, Jonathan A

Publication type:

Article

Activation of the G(s) heterotrimer monitored in living cells with novel G(s) biosensors.

Published in:

FASEB Journal, 2013, v. 27, p. 1094.4, doi. 10.1096/fasebj.27.1_supplement.1094.4

By:

Yano, Hideaki;
Provasi, Davide;
Filizola, Marta;
Ferre, Sergi;
Javitch, Jonathan A

Publication type:

Article

Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis.

Published in:

PLoS Computational Biology, 2019, v. 15, n. 1, p. 1, doi. 10.1371/journal.pcbi.1006689

By:

Hu, Xiaohu;
Wang, Yibo;
Hunkele, Amanda;
Provasi, Davide;
Pasternak, Gavril W.;
Filizola, Marta

Publication type:

Article

Differential Stability of the Crystallographic Interfaces of Mu- and Kappa-Opioid Receptors.

Published in:

PLoS ONE, 2014, v. 9, n. 2, p. 1, doi. 10.1371/journal.pone.0090694

By:

Johnston, Jennifer M.;
Filizola, Marta

Publication type:

Article

Structural biology: How opioid drugs bind to receptors.

Published in:

Nature, 2012, v. 485, n. 7398, p. 314, doi. 10.1038/485314a

By:

Filizola, Marta;
Devi, Lakshmi A.

Publication type:

Article

High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition.

Published in:

eLife, 2020, p. 1, doi. 10.7554/eLife.57870

By:

Basak, Sandip;
Kumar, Arvind;
Ramsey, Steven;
Gibbs, Eric;
Kapoor, Abhijeet;
Filizola, Marta;
Chakrapani, Sudha

Publication type:

Article

Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake.

Published in:

Science Signaling, 2016, v. 9, n. 430, p. 1, doi. 10.1126/scisignal.aac8035

By:

Wardman, Jonathan H.;
Gomes, Ivone;
Bobeck, Erin N.;
Stockert, Jennifer A.;
Kapoor, Abhijeet;
Bisignano, Paola;
Gupta, Achla;
Mezei, Mihaly;
Kumar, Sanjai;
Filizola, Marta;
Devi, Lakshmi A.

Publication type:

Article

Molecular mechanism of setron-mediated inhibition of full-length 5-HT3A receptor.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-11142-8

By:

Basak, Sandip;
Gicheru, Yvonne;
Kapoor, Abhijeet;
Mayer, Megan L.;
Filizola, Marta;
Chakrapani, Sudha

Publication type:

Article

Assessment of the bioactive conformation of the vasoactive intestinal peptide by computational methods.

Published in:

International Journal of Quantum Chemistry, 2002, v. 88, n. 1, p. 201, doi. 10.1002/qua.10112

By:

Filizola, Marta;
Perez, Juan J.

Publication type:

Article

Molecular determinants of recognition and activation at GABAA/benzodiazepine receptors.

Published in:

International Journal of Quantum Chemistry, 2002, v. 88, n. 1, p. 56, doi. 10.1002/qua.10110

By:

Filizola, Marta;
Harris, Danni L.

Publication type:

Article

Synthesis and Characterization of Photoswitchable Covalent Ligands for the β2‐Adrenoceptor.

Published in:

Angewandte Chemie International Edition, 2025, v. 64, n. 24, p. 1, doi. 10.1002/anie.202424038

By:

Wirth, Ulrike;
Neu, Eduard;
Provasi, Davide;
Feustel, Steffen;
Schmidt, Maximilian F.;
Hübner, Harald;
Weikert, Dorothée;
Filizola, Marta;
König, Burkhard;
Gmeiner, Peter

Publication type:

Article