Works matching AU Filizola, Marta
Results: 43
Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands.
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- Frontiers in Endocrinology, 2022, v. 13, p. 1, doi. 10.3389/fendo.2022.1099715
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- Article
Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base.
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- BMC Bioinformatics, 2007, v. 8, p. 177, doi. 10.1186/1471-2105-8-177
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- Article
Identification of a serotonin/glutamate receptor complex implicated in psychosis.
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- Nature, 2008, v. 452, n. 7183, p. 93, doi. 10.1038/nature06612
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- Article
Implementation of an Online Reporting System to Identify Unprofessional Behaviors and Mistreatment Directed at Trainees at an Academic Medical Center.
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- JAMA Network Open, 2022, v. 5, n. 12, p. e2244661, doi. 10.1001/jamanetworkopen.2022.44661
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- Article
Computational Study of the Conformational Domains of Peptide T.
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- 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
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- Article
Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52130-x
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- Article
Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52130-x
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- Article
Structural biology: How opioid drugs bind to receptors.
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- Nature, 2012, v. 485, n. 7398, p. 314, doi. 10.1038/485314a
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- Article
Dopamine D2 receptors form higher order oligomers at physiological expression levels.
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- EMBO Journal, 2008, v. 27, n. 17, p. 2293, doi. 10.1038/emboj.2008.153
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- Article
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis.
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- PLoS Computational Biology, 2019, v. 15, n. 1, p. 1, doi. 10.1371/journal.pcbi.1006689
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- Article
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model.
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- PLoS Computational Biology, 2016, v. 12, n. 12, p. 1, doi. 10.1371/journal.pcbi.1005240
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- Article
Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1005, doi. 10.1007/s10822-012-9594-6
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- Article
Membrane Driven Spatial Organization of GPCRs.
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- Scientific Reports, 2013, p. 1, doi. 10.1038/srep02909
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- Article
Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association.
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- PLoS Computational Biology, 2015, v. 11, n. 3, p. 1, doi. 10.1371/journal.pcbi.1004148
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- Article
Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors.
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- PLoS Computational Biology, 2012, v. 8, n. 8, p. 1, doi. 10.1371/journal.pcbi.1002649
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- Article
Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques.
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- PLoS Computational Biology, 2011, v. 7, n. 10, p. 1, doi. 10.1371/journal.pcbi.1002193
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- Article
Structure-Guided Design of a High-Affinity Platelet Integrin α<sub>IIb</sub>β<sub>3</sub> Receptor Antagonist That Disrupts Mg<sup>2+</sup> Binding to the MIDAS.
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- Science Translational Medicine, 2012, v. 4, n. 125, p. 1, doi. 10.1126/scitranslmed.3003576
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- Article
Bioactive peptides: Conformational studies of [TYR.
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- Biopolymers, 1995, v. 36, n. 4, p. 453, doi. 10.1002/bip.360360408
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- Article
Structural basis of positive allosteric modulation of metabotropic glutamate receptor activation and internalization.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50548-x
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- Article
Targeted molecular dynamics reveals overall common conformational changes upon hybrid domain swing-out in β3 integrins.
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- Proteins, 2009, v. 77, n. 2, p. 477, doi. 10.1002/prot.22463
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- Article
Functional and computational studies of the ligand-associated metal binding site of β3 integrins.
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- Proteins, 2008, v. 71, n. 4, p. 1779, doi. 10.1002/prot.21859
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- Article
Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis.
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- Proteins, 2008, v. 71, n. 2, p. 575, doi. 10.1002/prot.21787
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- Article
GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base.
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- Bioinformatics, 2010, v. 26, n. 14, p. 1804, doi. 10.1093/bioinformatics/btq264
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- Article
Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors.
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- eLife, 2021, p. 1, doi. 10.7554/eLife.67027
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- Article
Insights into the function of opioid receptors from molecular dynamics simulations of available crystal structures.
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- 2018
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- journal article
Molecular mechanism of setron-mediated inhibition of full-length 5-HT<sub>3A</sub> receptor.
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- Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-11142-8
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- Article
Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake.
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- Science Signaling, 2016, v. 9, n. 430, p. 1, doi. 10.1126/scisignal.aac8035
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- Article
Assessment of the bioactive conformation of the vasoactive intestinal peptide by computational methods.
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- International Journal of Quantum Chemistry, 2002, v. 88, n. 1, p. 201, doi. 10.1002/qua.10112
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- Article
Molecular determinants of recognition and activation at GABA<sub>A</sub>/benzodiazepine receptors.
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- International Journal of Quantum Chemistry, 2002, v. 88, n. 1, p. 56, doi. 10.1002/qua.10110
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- Article
The study of G-protein coupled receptor oligomerization with computational modeling and bioinformatics.
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- FEBS Journal, 2005, v. 272, n. 12, p. 2926, doi. 10.1111/j.1742-4658.2005.04730.x
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- Article
Modeling activated states of GPCRs: the rhodopsin template.
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- 2007
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- Correction Notice
Modeling activated states of GPCRs: the rhodopsin template.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 437, doi. 10.1007/s10822-006-9061-3
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- Article
Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 405, doi. 10.1007/s10822-006-9053-3
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- Article
Modeling activated states of GPCRs: the rhodopsin template.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 437, doi. 10.1007/s10822-006-9061-3
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- Publication type:
- Article
TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 2, p. 97, doi. 10.1007/s10822-006-9039-1
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- Article
High-resolution structures of multiple 5-HT<sub>3A</sub>R-setron complexes reveal a novel mechanism of competitive inhibition.
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- eLife, 2020, p. 1, doi. 10.7554/eLife.57870
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- Article
Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method.
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- Protein Engineering, 2002, v. 15, n. 11, p. 881, doi. 10.1093/protein/15.11.881
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- Article
Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders.
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- Frontiers in Molecular Neuroscience, 2019, p. 1, doi. 10.3389/fnmol.2019.00207
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- Article
Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations.
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- Proteins, 2014, v. 82, n. 12, p. 3231, doi. 10.1002/prot.24540
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- Article
Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profiles.
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- Biopolymers, 2014, v. 101, n. 1, p. 21, doi. 10.1002/bip.22251
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- Article
Structural models for dimerization of G-protein coupled receptors: The opioid receptor homodimers.
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- Biopolymers, 2002, v. 66, n. 5, p. 317, doi. 10.1002/bip.10311
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- Article
Differential Stability of the Crystallographic Interfaces of Mu- and Kappa-Opioid Receptors.
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- PLoS ONE, 2014, v. 9, n. 2, p. 1, doi. 10.1371/journal.pone.0090694
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- Article
Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors.
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- Journal of Computational Chemistry, 2001, v. 22, n. 16, p. 2018, doi. 10.1002/jcc.1150
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- Article