D. Rodríguez

发表

Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists.

X. García‐Mera, M. Loza, E. Sotelo, 2011, Journal of medicinal chemistry.

Discovery of GPCR Ligands by Molecular Docking Screening: Novel Opportunities Provided by Crystal Structures.

David Rodríguez, Jens Carlsson, Anirudh Ranganathan, 2015, Current topics in medicinal chemistry.

A conserved molecular switch in Class F receptors regulates receptor activation and pathway selection

M. Babu, G. Schulte, D. Rodríguez, 2019, Nature Communications.

Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis.

J. Dame, D. Rodríguez, H. Gutiérrez‐de‐Terán, 2009, Biochemistry.

Identification of Novel Scaffolds from an Original Chemical Library as Potential Antipsychotics

M. Loza, D. Rodríguez, H. Gutiérrez‐de‐Terán, 2009 .

Mapping the Interface of a GPCR Dimer: A Structural Model of the A2A Adenosine and D2 Dopamine Receptor Heteromer

K. Fuxe, D. Borroto-Escuela, W. Romero-Fernández, 2018, Front. Pharmacol..

Molecular Modelling of G Protein‐Coupled Receptors Through the Web

Xabier Bello, David Rodríguez, Hugo Gutiérrez-de-Terán, 2012, Molecular informatics.

Structure-Based Discovery of Negative Allosteric Modulators of the Metabotropic Glutamate Receptor 5

D. Rodríguez, G. Lebon, Jens Carlsson, 2022, ACS chemical biology.

Characterization of the dynamic events of GPCRs by automated computational simulations.

David Rodríguez, Xabier Bello, Hugo Gutiérrez-de-Terán, 2013, Biochemical Society transactions.

The tyrosine Y2502.39 in Frizzled 4 defines a conserved motif important for structural integrity of the receptor and recruitment of Disheveled.

G. Schulte, P. Matricon, D. Rodríguez, 2017, Cellular signalling.

Agonist-induced dimer dissociation as a macromolecular step in G protein-coupled receptor signaling

G. Schulte, J. Strömqvist, P. Matricon, 2017, Nature Communications.

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor

David Rodríguez, Jens Carlsson, Kenneth A. Jacobson, 2015, J. Chem. Inf. Model..

Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators

R. Cheng, D. Rodríguez, M. Hennig, 2021, bioRxiv.

Disruption of A2AR-D2R Heteroreceptor Complexes After A2AR Transmembrane 5 Peptide Administration Enhances Cocaine Self-Administration in Rats

K. Fuxe, D. Borroto-Escuela, D. Rodríguez, 2018, Molecular Neurobiology.

Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists

Hugo Gutiérrez-de-Terán, Raimund Mannhold, Francesco Sirci, 2012, Journal of Computer-Aided Molecular Design.

Disruption of A2AR-D2R Heteroreceptor Complexes After A2AR Transmembrane 5 Peptide Administration Enhances Cocaine Self-Administration in Rats

K. Fuxe, D. Borroto-Escuela, D. Rodríguez, 2018, Molecular Neurobiology.

Preferential activation by galanin 1-15 fragment of the GalR1 protomer of a GalR1-GalR2 heteroreceptor complex.

K. Fuxe, Z. Díaz-Cabiale, L. Agnati, 2014, Biochemical and biophysical research communications.

A conserved molecular switch in Class F receptors regulates receptor activation and pathway selection

M. Babu, G. Schulte, D. Rodríguez, 2019, Nature Communications.

Structure-based discovery of selective serotonin 5-HT(1B) receptor ligands.

David Rodríguez, María Isabel Loza, Jens Carlsson, 2014, Structure.

Agonist-induced dimer dissociation as a macromolecular step in G protein-coupled receptor signaling

G. Schulte, J. Strömqvist, P. Matricon, 2017, Nature Communications.

Characterization of the homodimerization interface and functional hotspots of the CXCR4 chemokine receptor

D. Rodríguez, H. Gutiérrez‐de‐Terán, 2012, Proteins.

Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists.

David Rodríguez, Jens Carlsson, Saibal Chakraborty, 2016, ACS chemical biology.

Strategies for Improved Modeling of GPCR-Drug Complexes: Blind Predictions of Serotonin Receptors Bound to Ergotamine

David Rodríguez, Jens Carlsson, Anirudh Ranganathan, 2014, J. Chem. Inf. Model..

Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors.

David Rodríguez, Hugo Gutiérrez-de-Terán, Ángel Piñeiro, 2011, Biochemistry.

Structure-Based Discovery of GPCR Ligands from Crystal Structures and Homology Models

David Rodríguez, Jens Carlsson, Anirudh Ranganathan, 2017 .

The role of a sodium ion binding site in the allosteric modulation of the A(2A) adenosine G protein-coupled receptor.

David Rodríguez, Hugo Gutiérrez-de-Terán, Vadim Cherezov, 2013, Structure.

Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008

Charles L. Brooks, Adrian W. R. Serohijos, John Moult, 2009, Nature Reviews Drug Discovery.

Discovery of trace amine-associated receptor 1 ligands by molecular docking screening against a homology model

David Rodríguez, Jens Carlsson, D. Rodríguez, 2015 .

Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold.

David Rodríguez, Hugo Gutiérrez-de-Terán, María Isabel Loza, 2013, European journal of medicinal chemistry.

New selective A2A agonists and A3 antagonists for human adenosine receptors. Synthesis, biological activity and molecular docking studies

David Rodríguez, Hugo Gutiérrez-de-Terán, María Isabel Loza, 2015 .