Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding site.
暂无分享,去创建一个
Jiyoung Heo | Nagarajan Vaidehi | William A Goddard | W. Goddard | N. Vaidehi | Jiyoung Heo | J. Wendel | John Wendel
[1] William A. Goddard,et al. Fidelity of Phenylalanyl-tRNA Synthetase in Binding the Natural Amino Acids , 2003 .
[2] J. Thompson,et al. CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. , 1994, Nucleic acids research.
[3] L. Limbird,et al. Mutation of an aspartate residue highly conserved among G-protein-coupled receptors results in nonreciprocal disruption of alpha 2-adrenergic receptor-G-protein interactions. A negative charge at amino acid residue 79 forecasts alpha 2A-adrenergic receptor sensitivity to allosteric modulation by mon , 1994, The Journal of biological chemistry.
[4] Peter L. Freddolino,et al. The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. , 2004, Proceedings of the National Academy of Sciences of the United States of America.
[5] Peter L. Freddolino,et al. Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists. , 2004, Proceedings of the National Academy of Sciences of the United States of America.
[6] Wely B. Floriano,et al. Interaction of e. coli outer‐membrane protein A with sugars on the receptors of the brain microvascular endothelial cells , 2002, Proteins.
[7] Sharon Brunett,et al. Molecular dynamics for very large systems on massively parallel computers: The MPSim program , 1997 .
[8] Nagarajan Vaidehi,et al. First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin. , 2004, Biophysical journal.
[9] J. Thornton,et al. Satisfying hydrogen bonding potential in proteins. , 1994, Journal of molecular biology.
[10] S. L. Mayo,et al. DREIDING: A generic force field for molecular simulations , 1990 .
[11] A. IJzerman,et al. Site-directed mutagenesis of the human A1 adenosine receptor: influences of acidic and hydroxy residues in the first four transmembrane domains on ligand binding. , 1996, Molecular pharmacology.
[12] D. Banville,et al. Proenkephalin A gene products activate a new family of sensory neuron–specific GPCRs , 2002, Nature Neuroscience.
[13] Nagarajan Vaidehi,et al. Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors. , 2004, Chemical senses.
[14] Nagarajan Vaidehi,et al. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases. , 2004, Journal of medicinal chemistry.
[15] J. Gasteiger,et al. ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY – A RAPID ACCESS TO ATOMIC CHARGES , 1980 .
[16] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[17] Nagarajan Vaidehi,et al. Virtual screening for binding of phenylalanine analogues to phenylalanyl-tRNA synthetase. , 2002, Journal of the American Chemical Society.
[18] Marcus Elstner,et al. The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure. , 2004, Journal of molecular biology.
[19] Francesca Deflorian,et al. Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling. , 2003, Chemical communications.
[20] K. Jacobson,et al. A mutational analysis of residues essential for ligand recognition at the human P2Y1 receptor. , 1997, Molecular pharmacology.
[21] T. Shinohara,et al. Identification of a G Protein-coupled Receptor Specifically Responsive to β-Alanine* , 2004, Journal of Biological Chemistry.
[22] David J. Anderson,et al. A Diverse Family of GPCRs Expressed in Specific Subsets of Nociceptive Sensory Neurons , 2001, Cell.
[23] W. Goddard,et al. Structure-based design of mutant Methanococcus jannaschii tyrosyl-tRNA synthetase for incorporation of O-methyl-l-tyrosine , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[24] Jiyoung Heo,et al. Prediction of the 3D Structure of FMRF‐amide Neuropeptides Bound to the Mouse MrgC11 GPCR and Experimental Validation , 2007, Chembiochem : a European journal of chemical biology.
[25] S. Rivkees,et al. Identification of the Adenine Binding Site of the Human A1 Adenosine Receptor* , 1999, The Journal of Biological Chemistry.
[26] Adrian A Canutescu,et al. Access the most recent version at doi: 10.1110/ps.03154503 References , 2003 .
[27] Peter L. Freddolino,et al. Prediction of structure and function of G protein-coupled receptors , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[28] A. Becke,et al. Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.
[29] Todd J. A. Ewing,et al. Critical evaluation of search algorithms for automated molecular docking and database screening , 1997 .
[30] Kenneth A Jacobson,et al. Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists. , 2003, Journal of medicinal chemistry.
[31] M. Jurzak,et al. Characterization of an orphan G protein-coupled receptor localized in the dorsal root ganglia reveals adenine as a signaling molecule , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[32] David J. Anderson,et al. Orphan G protein-coupled receptors MrgA1 and MrgC11 are distinctively activated by RF-amide-related peptides through the Gαq/11 pathway , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[33] Nagarajan Vaidehi,et al. Test of the Binding Threshold Hypothesis for olfactory receptors: Explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912‐93 , 2005, Protein science : a publication of the Protein Society.
[34] Xiao Hong Yu,et al. Sensory neuron-specific receptor activation elicits central and peripheral nociceptive effects in rats. , 2004, Proceedings of the National Academy of Sciences of the United States of America.
[35] Nagarajan Vaidehi,et al. Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment. , 2004, Chemical senses.
[36] Alexander D. MacKerell,et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.
[37] J M Thornton,et al. On the molecular discrimination between adenine and guanine by proteins. , 2001, Nucleic acids research.
[38] M. Fidock,et al. MrgX2 Is a High Potency Cortistatin Receptor Expressed in Dorsal Root Ganglion* , 2003, Journal of Biological Chemistry.
[39] William A. Goddard,et al. The MPSim‐Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals , 2005, J. Comput. Chem..
[40] W. Goddard,et al. Selectivity and specificity of substrate binding in methionyl‐tRNA synthetase , 2004, Protein Science.
[41] W. Goddard,et al. Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactions , 1992 .
[42] G. Zamanakos. A fast and accurate analytical method for the computation of solvent effects in molecular simulations , 2002 .
[43] K. Palczewski,et al. Crystal Structure of Rhodopsin: A G‐Protein‐Coupled Receptor , 2002, Chembiochem : a European journal of chemical biology.
[44] G M Shepherd,et al. Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[45] J. Bockaert,et al. Molecular tinkering of G protein‐coupled receptors: an evolutionary success , 1999, The EMBO journal.
[46] W. Goddard,et al. Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen , 2002, Proceedings of the National Academy of Sciences of the United States of America.