| scholarly article | Q13442814 |
| P50 | author | Ruben Abagyan | Q44682954 |
| Vsevolod Katritch | Q28317231 | ||
| Irina Kufareva | Q38319846 | ||
| P2860 | cites work | 2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists | Q39959744 |
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| The RegEx trial: a randomized, double-blind, placebo- and active-controlled pilot study combining regadenoson, a selective A(2A) adenosine agonist, with low-level exercise, in patients undergoing myocardial perfusion imaging | Q46157999 | ||
| A new generation of adenosine receptor antagonists: from di- to trisubstituted aminopyrimidines | Q46765822 | ||
| Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening. | Q51791975 | ||
| Synthesis and biological evaluation of novel 1-deoxy-1-[6-[((hetero)arylcarbonyl)hydrazino]- 9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide derivatives as useful templates for the development of A2B adenosine receptor agonists | Q51800557 | ||
| Flexible protein–ligand docking by global energy optimization in internal coordinates | Q52281044 | ||
| Estimating local backbone structural deviation in homology models | Q73372785 | ||
| Homology modeling with internal coordinate mechanics: Deformation zone mapping and improvements of models via conformational search | Q74252568 | ||
| Adenosine receptors and asthma | Q84308346 | ||
| Adenosine receptors and the heart: role in regulation of coronary blood flow and cardiac electrophysiology | Q24598754 | ||
| Adenosine receptors as therapeutic targets | Q24632095 | ||
| The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist | Q24654563 | ||
| 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor | Q28266208 | ||
| A2A adenosine receptor and its modulators: overview on a druggable GPCR and on structure-activity relationship analysis and binding requirements of agonists and antagonists | Q28283019 | ||
| 1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships | Q28298080 | ||
| 1,2,4-Triazolo[4,3-a]quinoxalin-1-one: a versatile tool for the synthesis of potent and selective adenosine receptor antagonists | Q28374524 | ||
| Structural diversity of G protein-coupled receptors and significance for drug discovery | Q29616716 | ||
| Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins | Q30421728 | ||
| Homology modeling by the ICM method | Q30424405 | ||
| Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists | Q30435017 | ||
| GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex | Q30437388 | ||
| Comparative study of several algorithms for flexible ligand docking | Q33201269 | ||
| Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators | Q33400428 | ||
| Structure-based discovery of A2A adenosine receptor ligands | Q33560239 | ||
| Prediction of the binding energy for small molecules, peptides and proteins | Q33682938 | ||
| Adenosine receptor agonists: from basic medicinal chemistry to clinical development | Q35602688 | ||
| Introduction to adenosine receptors as therapeutic targets | Q36153376 | ||
| GPCR agonists and antagonists in the clinic | Q36514224 | ||
| Adenosine receptors and reperfusion injury of the heart | Q37565166 | ||
| Adenosine receptors and inflammation | Q37565170 | ||
| Adenosine receptors and cancer. | Q37565200 | ||
| Adenosine receptors and the central nervous system. | Q37565205 | ||
| Adenosine A2A receptors and Parkinson's disease. | Q37565218 | ||
| Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues. | Q39741202 | ||
| P433 | issue | 1 | |
| P1104 | number of pages | 8 | |
| P304 | page(s) | 108-115 | |
| P577 | publication date | 2010-07-15 | |
| P1433 | published in | Neuropharmacology | Q15332439 |
| P1476 | title | Structure based prediction of subtype-selectivity for adenosine receptor antagonists | |
| P478 | volume | 60 |
| Q89949713 | A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands |
| Q34402706 | ALiBERO: Evolving a Team of Complementary Pocket Conformations Rather than a Single Leader |
| Q42091180 | Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges |
| Q53437158 | Characterization of adenosine receptor in its native environment: insights from molecular dynamics simulations of palmitoylated/glycosylated, membrane-integrated human A(2B) adenosine receptor. |
| Q34968064 | Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor |
| Q38666943 | Coumarins and adenosine receptors: New perceptions in structure-affinity relationships |
| Q26852976 | Diversity and modularity of G protein-coupled receptor structures |
| Q39096521 | Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping |
| Q35218190 | Electronic sculpting of ligand-GPCR subtype selectivity: the case of angiotensin II. |
| Q37715929 | From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study |
| Q38810192 | GPCR agonist binding revealed by modeling and crystallography |
| Q46069455 | Identification of structural determinants of ligand selectivity in 5-HT2 receptor subtypes on the basis of protein–ligand interactions |
| Q54109348 | Insight into the interactions between novel coumarin derivatives and human A3 adenosine receptors |
| Q38092807 | Latest developments in molecular docking: 2010–2011 in review |
| Q59489014 | Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists |
| Q35975646 | Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol |
| Q56990903 | Navigating in chromone chemical space: discovery of novel and distinct A3 adenosine receptor ligands |
| Q36343219 | Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening |
| Q90303496 | Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity |
| Q37393936 | Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D). |
| Q56990834 | Progress in the development of small molecules as new human A3 adenosine receptor ligands based on the 3-thiophenylcoumarin core |
| Q98505928 | Purinergic signaling: Impact of GPCR structures on rational drug design |
| Q44234859 | Quantitative insights towards the design of potent deazaxanthine antagonists of adenosine 2B receptors |
| Q40932261 | Role of extracellular cysteine residues in the adenosine A2A receptor. |
| Q27670746 | Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions |
| Q24296388 | Structure of an agonist-bound human A2A adenosine receptor |
| Q24595968 | Structure of the human histamine H1 receptor complex with doxepin |
| Q36546173 | Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists |
| Q38172457 | Structure-based and fragment-based GPCR drug discovery |
| Q30576993 | Structure-function of the G protein-coupled receptor superfamily |
| Q63916706 | Structure-kinetics relationships of Capadenoson derivatives as adenosine A 1 receptor agonists |
| Q37957791 | The A3 adenosine receptor as multifaceted therapeutic target: pharmacology, medicinal chemistry, and in silico approaches |
| Q37045212 | The GPCR Network: a large-scale collaboration to determine human GPCR structure and function |
| Q30377191 | The role of experimental and computational structural approaches in 7TM drug discovery. |
| Q30408394 | The second extracellular loop of the adenosine A1 receptor mediates activity of allosteric enhancers |
| Q37876534 | The structure of the adenosine receptors: implications for drug discovery. |
| Q37967933 | Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors |
| Q38093833 | X-ray structural information of GPCRs in drug design: what are the limitations and where do we go? |
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