GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex.
about
SAHG, a comprehensive database of predicted structures of all human proteinsNew insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptorsComputational methods in drug discoveryStructure of the Adenosine A2A Receptor in Complex with ZM241385 and the Xanthines XAC and CaffeineAllosteric ligands for the pharmacologically dark receptors GPR68 and GPR65.Improving homology modeling of G-protein coupled receptors through multiple-template derived conserved inter-residue interactions.The second extracellular loop of the adenosine A1 receptor mediates activity of allosteric enhancersBihelix: Towards de novo structure prediction of an ensemble of G-protein coupled receptor conformations.Methods of protein structure comparison.Homology modeling a fast tool for drug discovery: current perspectives.Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.Ligand discovery from a dopamine D3 receptor homology model and crystal structureBiophysical mapping of the adenosine A2A receptorDo crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?Structure based prediction of subtype-selectivity for adenosine receptor antagonistsALiBERO: evolving a team of complementary pocket conformations rather than a single leader.Gastrin-releasing peptide/neuromedin B receptor antagonists PD176252, PD168368, and related analogs are potent agonists of human formyl-peptide receptors.Modeling G Protein-Coupled Receptors: a Concrete PossibilityIn silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor α.Development of a highly selective allosteric antagonist radioligand for the type 1 cholecystokinin receptor and elucidation of its molecular basis of bindingSuccessful prediction of the intra- and extracellular loops of four G-protein-coupled receptorsComputational studies to predict or explain G protein coupled receptor polypharmacologyIn silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor.In silico screening for agonists and blockers of the β(2) adrenergic receptor: implications of inactive and activated state structuresStructure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol.Molecular basis for binding and subtype selectivity of 1,4-benzodiazepine antagonist ligands of the cholecystokinin receptor.Predicting the biological activities through QSAR analysis and docking-based scoring.Structural features embedded in G protein-coupled receptor co-crystal structures are key to their success in virtual screening.Molecular Mechanism of Action of Triazolobenzodiazepinone Agonists of the Type 1 Cholecystokinin Receptor. Possible Cooperativity across the Receptor Homodimeric Complex.patGPCR: a multitemplate approach for improving 3D structure prediction of transmembrane helices of G-protein-coupled receptors.Molecular basis for benzodiazepine agonist action at the type 1 cholecystokinin receptor.Galaxy7TM: flexible GPCR-ligand docking by structure refinementProgress in structure based drug design for G protein-coupled receptors.Structure-function studies with G protein-coupled receptors as a paradigm for improving drug discovery and development of therapeutics.Latest developments in molecular docking: 2010-2011 in review.Structure-based and fragment-based GPCR drug discovery.History and perspectives of A2A adenosine receptor antagonists as potential therapeutic agents.Identifying ligands at orphan GPCRs: current status using structure-based approaches.GPCR agonist binding revealed by modeling and crystallography.
P2860
Q24615461-FDF5DAF2-F3A4-48FF-9EDF-6EC3D147D3D4Q26991761-2CB3C2D5-1D4C-421B-B9AD-8B3E31938423Q26997089-8E638C59-9C2C-48B4-823F-7E6D22D44476Q27672832-972C97F2-95CF-45D2-B02C-16A99A4F94F4Q30369189-33DF36B7-F452-4863-ABCF-B881426F0321Q30369696-3E124FC5-3476-40E0-8D81-D70CD815F27CQ30408394-54956F72-C436-4EEB-A151-9160D54D17D5Q30410723-E732C8B7-9504-4884-A1C8-31269413B243Q30412884-E78AFF43-B938-4F1F-89BD-2FB1B9B29DDCQ30424335-DEA0C343-1422-4B58-B339-30B636B990D8Q30435017-232509C1-91FE-4734-95DA-51A9D9B6C618Q31031038-306DA12F-8509-4083-9379-4850E75C39FEQ33929146-E76AFE6C-693D-4089-8134-835E71E17AD9Q34049826-8F44EE8A-664E-489E-9822-B2D1B234694AQ34306247-8E763413-0EAA-4F83-8F52-B0C14A3D76F9Q34402706-DB1D919F-E87E-4EAC-8A07-68B1E228CA17Q34458478-578B7DAA-FA42-4064-8AAC-9C509392AECEQ34498063-65418C91-0275-4758-87DE-1CEA4710F186Q34737042-E152F0E3-FACA-4E00-8BAB-A176C9858DEFQ34785475-7D4962B9-CD16-4E90-A7BC-A5ED0E41BAA7Q35002989-41615A89-DFF7-46C8-95EF-162389D85B25Q35039998-FE7BD208-EC44-4470-9D80-0D2CB7A7788AQ35057759-0533461A-8313-499F-8D10-EFB1CBCE9F40Q35693310-06BABC02-7D66-4BDE-AF83-08B05D777162Q35887252-0C742703-28CE-49C5-A9E9-8103B642F298Q35975646-691E769D-44C1-4CB1-9503-E0BF3D471429Q36002904-625F2F99-697C-44A5-8465-8F37C590A2ECQ36242719-CAD2EBB2-8CB7-457A-B8E5-4BFCC6883B9EQ36336103-69E5A895-85B3-4217-88B5-F917D33F47E7Q36683781-B45F028C-A1C1-4BDA-A68F-3AAFC6742726Q36716343-3482A6A8-9CCE-457F-BBB9-3BE5E21A881EQ37175130-FB1E218F-1FF3-4C28-ADA9-AE2609DC3BA4Q37182100-CEE0C63D-E239-4CA2-B8CF-1C8AC6C8BB25Q37880053-422331F4-5416-474C-8EFD-C0C159EE1FDAQ38065136-CE689407-346C-4F55-86B0-B49F9E32B6B4Q38092807-79382C4F-5FE1-4389-86D5-11997338A5BAQ38172457-09BA4A49-B3F5-4CC7-8458-E9D79AFB8E54Q38395423-28FAACFD-3A06-4CC3-8431-58290E88DF52Q38720041-7FED7357-C3F9-4A6D-A3C8-6193228F07C8Q38810192-EDC74726-6C66-46CD-8550-066738D3824A
P2860
GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex.
description
2010 nî lūn-bûn
@nan
2010 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@ast
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@en
type
label
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@ast
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@en
prefLabel
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@ast
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@en
P2093
P2860
P356
P1433
P1476
GPCR 3D homology models for li ...... denosine A2a receptor complex.
@en
P2093
Manuel Rueda
Mark Yeager
Polo Chun-Hung Lam
P2860
P304
P356
10.1002/PROT.22507
P407
P577
2010-01-01T00:00:00Z