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David R. Davies, Ph.D. - Publications

Affiliations: 
NIDDK, NIH, Bethesda, MD, United States 
Area:
structural biology, crystallography, innate immune system
Website:
http://www-mslmb.niddk.nih.gov/davies/david.html

81 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Botos I, Segal DM, Davies DR. The structural biology of Toll-like receptors. Structure (London, England : 1993). 19: 447-59. PMID 21481769 DOI: 10.1016/J.Str.2011.02.004  0.302
2010 Wang Y, Liu L, Davies DR, Segal DM. Dimerization of Toll-like receptor 3 (TLR3) is required for ligand binding. The Journal of Biological Chemistry. 285: 36836-41. PMID 20861016 DOI: 10.1074/Jbc.M110.167973  0.329
2010 Li M, Chen C, Davies DR, Chiu TK. Induced-fit mechanism for prolyl endopeptidase. The Journal of Biological Chemistry. 285: 21487-95. PMID 20444688 DOI: 10.1074/Jbc.M109.092692  0.342
2010 Fitzkee NC, Masse JE, Shen Y, Davies DR, Bax A. Solution conformation and dynamics of the HIV-1 integrase core domain. The Journal of Biological Chemistry. 285: 18072-84. PMID 20363759 DOI: 10.1074/Jbc.M110.113407  0.372
2009 Botos I, Liu L, Wang Y, Segal DM, Davies DR. The toll-like receptor 3:dsRNA signaling complex. Biochimica Et Biophysica Acta. 1789: 667-74. PMID 19595807 DOI: 10.1016/J.Bbagrm.2009.06.005  0.304
2008 Liu L, Botos I, Wang Y, Leonard JN, Shiloach J, Segal DM, Davies DR. Structural basis of toll-like receptor 3 signaling with double-stranded RNA. Science (New York, N.Y.). 320: 379-81. PMID 18420935 DOI: 10.1126/Science.1155406  0.32
2008 Leonard JN, Ghirlando R, Askins J, Bell JK, Margulies DH, Davies DR, Segal DM. The TLR3 signaling complex forms by cooperative receptor dimerization. Proceedings of the National Academy of Sciences of the United States of America. 105: 258-63. PMID 18172197 DOI: 10.1073/Pnas.0710779105  0.315
2006 Bell JK, Botos I, Hall PR, Askins J, Shiloach J, Davies DR, Segal DM. The molecular structure of the TLR3 extracellular domain. Journal of Endotoxin Research. 12: 375-8. PMID 17254392 DOI: 10.1179/096805106X118780  0.337
2006 Bell JK, Askins J, Hall PR, Davies DR, Segal DM. The dsRNA binding site of human Toll-like receptor 3. Proceedings of the National Academy of Sciences of the United States of America. 103: 8792-7. PMID 16720699 DOI: 10.1073/Pnas.0603245103  0.302
2006 Kubelka J, Chiu TK, Davies DR, Eaton WA, Hofrichter J. Sub-microsecond protein folding. Journal of Molecular Biology. 359: 546-53. PMID 16643946 DOI: 10.1016/J.Jmb.2006.03.034  0.321
2005 Bell JK, Botos I, Hall PR, Askins J, Shiloach J, Segal DM, Davies DR. The molecular structure of the Toll-like receptor 3 ligand-binding domain. Proceedings of the National Academy of Sciences of the United States of America. 102: 10976-80. PMID 16043704 DOI: 10.1073/Pnas.0505077102  0.338
2005 Chiu TK, Kubelka J, Herbst-Irmer R, Eaton WA, Hofrichter J, Davies DR. High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proceedings of the National Academy of Sciences of the United States of America. 102: 7517-22. PMID 15894611 DOI: 10.1073/Pnas.0502495102  0.367
2005 Baxa U, Cheng N, Winkler DC, Chiu TK, Davies DR, Sharma D, Inouye H, Kirschner DA, Wickner RB, Steven AC. Filaments of the Ure2p prion protein have a cross-beta core structure. Journal of Structural Biology. 150: 170-9. PMID 15866740 DOI: 10.1016/J.Jsb.2005.02.007  0.334
2005 Cohen GH, Silverton EW, Padlan EA, Dyda F, Wibbenmeyer JA, Willson RC, Davies DR. Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry. Acta Crystallographica. Section D, Biological Crystallography. 61: 628-33. PMID 15858274 DOI: 10.1107/S0907444905007870  0.36
2005 Daopin S, Davies DR, Schlunegger MP, Grütter MG. Comparison of two crystal structures of TGF-beta2: the accuracy of refined protein structures. Acta Crystallographica. Section D, Biological Crystallography. 50: 85-92. PMID 15299480 DOI: 10.1107/S090744499300808X  0.332
2004 Chiu TK, Davies DR. Structure and function of HIV-1 integrase. Current Topics in Medicinal Chemistry. 4: 965-77. PMID 15134551 DOI: 10.2174/1568026043388547  0.315
2004 Umland TC, Wolff EC, Park MH, Davies DR. A new crystal structure of deoxyhypusine synthase reveals the configuration of the active enzyme and of an enzyme.NAD.inhibitor ternary complex. The Journal of Biological Chemistry. 279: 28697-705. PMID 15100216 DOI: 10.1074/Jbc.M404095200  0.362
2003 Bell JK, Mullen GE, Leifer CA, Mazzoni A, Davies DR, Segal DM. Leucine-rich repeats and pathogen recognition in Toll-like receptors. Trends in Immunology. 24: 528-33. PMID 14552836 DOI: 10.1016/S1471-4906(03)00242-4  0.316
2003 Mullen GE, Kennedy MN, Visintin A, Mazzoni A, Leifer CA, Davies DR, Segal DM. The role of disulfide bonds in the assembly and function of MD-2. Proceedings of the National Academy of Sciences of the United States of America. 100: 3919-24. PMID 12642668 DOI: 10.1073/Pnas.0630495100  0.309
2001 Hickman AB, Davies DR. Principles of macromolecular X-ray crystallography. Current Protocols in Protein Science / Editorial Board, John E. Coligan ... [Et Al.]. Unit 17.3. PMID 18429137 DOI: 10.1002/0471140864.Ps1703S10  0.324
2001 Umland TC, Taylor KL, Rhee S, Wickner RB, Davies DR. The crystal structure of the nitrogen regulation fragment of the yeast prion protein Ure2p. Proceedings of the National Academy of Sciences of the United States of America. 98: 1459-64. PMID 11171973 DOI: 10.1073/Pnas.98.4.1459  0.345
2000 Umland TC, Wei SQ, Craigie R, Davies DR. Structural basis of DNA bridging by barrier-to-autointegration factor. Biochemistry. 39: 9130-8. PMID 10924106 DOI: 10.1021/Bi000572W  0.36
2000 Davies DR. Paul sigler Structure (London, England : 1993). 8: R67-8. PMID 10745016 DOI: 10.1016/S0969-2126(00)00113-1  0.347
2000 Han ZJ, Rhee S, Liu K, Miles HT, Davies DR. Crystallization and preliminary crystallographic study of triple-helical DNA. Acta Crystallographica. Section D, Biological Crystallography. 56: 104-5. PMID 10666643 DOI: 10.1107/S0907444999012895  0.337
1998 Rhee S, Martin RG, Rosner JL, Davies DR. A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator. Proceedings of the National Academy of Sciences of the United States of America. 95: 10413-8. PMID 9724717 DOI: 10.1073/Pnas.95.18.10413  0.318
1998 Goldgur Y, Dyda F, Hickman AB, Jenkins TM, Craigie R, Davies DR. Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proceedings of the National Academy of Sciences of the United States of America. 95: 9150-4. PMID 9689049 DOI: 10.1073/Pnas.95.16.9150  0.385
1998 Liao D, Wolff EC, Park MH, Davies DR. Crystal structure of the NAD complex of human deoxyhypusine synthase: an enzyme with a ball-and-chain mechanism for blocking the active site. Structure. 6: 23-35. PMID 9493264 DOI: 10.1016/S0969-2126(98)00004-5  0.354
1998 Rhee S, Miles EW, Davies DR. Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49. Journal of Biological Chemistry. 273: 8553-8555. DOI: 10.2210/Pdb1A5A/Pdb  0.377
1997 Rhee S, Parris KD, Hyde CC, Ahmed SA, Miles EW, Davies DR. Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry. 36: 7664-80. PMID 9201907 DOI: 10.1021/Bi9700429  0.329
1996 Cohen GH, Sheriff S, Davies DR. Refined structure of the monoclonal antibody HyHEL-5 with its antigen hen egg-white lysozyme. Acta Crystallographica. Section D, Biological Crystallography. 52: 315-26. PMID 15299704 DOI: 10.1107/S0907444995014855  0.329
1996 Chacko S, Silverton EW, Smith-Gill SJ, Davies DR, Shick KA, Xavier KA, Willson RC, Jeffrey PD, Chang CY, Sieker LC, Sheriff S. Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment. Proteins. 26: 55-65. PMID 8880929 DOI: 10.1002/(Sici)1097-0134(199609)26:1<55::Aid-Prot5>3.0.Co;2-F  0.355
1996 Rice P, Craigie R, Davies DR. Retroviral integrases and their cousins Current Opinion in Structural Biology. 6: 76-83. PMID 8696976 DOI: 10.1016/S0959-440X(96)80098-4  0.326
1996 Li M, Dyda F, Benhar I, Pastan I, Davies DR. Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation. Proceedings of the National Academy of Sciences of the United States of America. 93: 6902-6. PMID 8692916 DOI: 10.1073/Pnas.93.14.6902  0.393
1996 Davies DR, Cohen GH. Interactions of protein antigens with antibodies Proceedings of the National Academy of Sciences of the United States of America. 93: 7-12. PMID 8552677 DOI: 10.1073/Pnas.93.1.7  0.313
1996 Li M, Dyda F, Benhar I, Pastan I, Davies DR. Crystal structure of the catalytic domain ofPseudomonas aeruginosaexotoxin A complexed with an NAD analogue: implications for the activation process and for ADP-ribosylation Acta Crystallographica Section a Foundations of Crystallography. 52: C123-C123. DOI: 10.1107/S0108767396094251  0.344
1996 Dyda F, Hickman AB, Jenkins TM, Engelman A, Craigie R, Davies DR. The crystal structure of the catalytic core domain of HIV-1 integrase in a new crystal form Acta Crystallographica Section a Foundations of Crystallography. 52: C155-C155. DOI: 10.1107/S0108767396093038  0.327
1995 Jenkins TM, Hickman AB, Dyda F, Ghirlando R, Davies DR, Craigie R. Catalytic domain of human immunodeficiency virus type 1 integrase: Identification of a soluble mutant by systematic replacement of hydrophobic residues Proceedings of the National Academy of Sciences of the United States of America. 92: 6057-6061. PMID 7597080 DOI: 10.1073/Pnas.92.13.6057  0.345
1995 Li M, Dyda F, Benhar I, Pastan I, Davies DR. The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin. Proceedings of the National Academy of Sciences of the United States of America. 92: 9308-12. PMID 7568123 DOI: 10.1073/Pnas.92.20.9308  0.36
1995 Davies DR, Wlodawer A. Cytokines and their receptor complexes. The Faseb Journal. 9: 50-56. DOI: 10.1096/Fasebj.9.1.7821759  0.336
1994 Daopin S, Li M, Davies DR. Crystal structure of TGF-beta 2 refined at 1.8 A resolution. Proteins. 17: 176-92. PMID 8265565 DOI: 10.1002/Prot.340170207  0.334
1994 Dyda F, Hickman AB, Jenkins TM, Engelman A, Craigie R, Davies DR. Crystal structure of the catalytic domain of HIV-1 integrase: Similarity to other polynucleotidyl transferases Science. 266: 1981-1986. PMID 7801124 DOI: 10.1126/Science.7801124  0.347
1992 Parris KD, Hoover DJ, Damon DB, Davies DR. Synthesis and crystallographic analysis of two rhizopuspepsin inhibitor complexes. Biochemistry. 31: 8125-41. PMID 1525154 DOI: 10.1021/Bi00150A004  0.317
1991 Wilmanns M, Hyde CC, Davies DR, Kirschner K, Jansonius JN. Structural conservation in parallel beta/alpha-barrel enzymes that catalyze three sequential reactions in the pathway of tryptophan biosynthesis. Biochemistry. 30: 9161-9. PMID 1892826 DOI: 10.1021/Bi00102A006  0.33
1991 Rich A, Davies DR, Felsenfeld G. Triplex RNA. Science (New York, N.Y.). 253: 17. PMID 1712122 DOI: 10.1126/science.1712122  0.499
1991 Suguna K, Padlan EA, Bott R, Boger J, Parris KD, Davies DR. Structures of complexes of rhizopuspepsin with pepstatin and other statine‐containing inhibitors Proteins. 13: 195-205. DOI: 10.2210/Pdb6Apr/Pdb  0.357
1989 Padlan EA, Silverton EW, Sheriff S, Cohen GH, Smith-Gill SJ, Davies DR. Structure of an antibody-antigen complex: Crystal structure of the HyHEL-10 Fab-lysozyme complex Proceedings of the National Academy of Sciences of the United States of America. 86: 5938-5942. PMID 2762305 DOI: 10.1073/Pnas.86.15.5938  0.358
1989 Chothia C, Lesk AM, Tramontano A, Levitt M, Smith-Gill SJ, Air G, Sheriff S, Padlan EA, Davies D, Tulip WR. Conformations of immunoglobulin hypervariable regions. Nature. 342: 877-83. PMID 2687698 DOI: 10.1038/342877A0  0.31
1989 Davies DR, Sheriff S, Padlan E. Comparative study of two Fab-lysozyme crystal structures. Cold Spring Harbor Symposia On Quantitative Biology. 54: 233-238. PMID 2484160 DOI: 10.1101/Sqb.1989.054.01.029  0.339
1988 Suh SW, Bhat TN, Navia MA, Cohen GH, Rao DN, Rudikoff S, Davies DR. The galactan-binding immunoglobulin Fab J539: an X-ray diffraction study at 2.6-A resolution. Proteins. 1: 74-80. PMID 3449853 DOI: 10.1002/Prot.340010112  0.377
1987 Suguna K, Padlan EA, Smith CW, Carlson WD, Davies DR. Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action. Proceedings of the National Academy of Sciences of the United States of America. 84: 7009-13. PMID 3313384 DOI: 10.1073/Pnas.84.20.7009  0.339
1987 Sheriff S, Silverton EW, Padlan EA, Cohen GH, Smith-Gill SJ, Finzel BC, Davies DR. Three-dimensional structure of an antibody-antigen complex. Proceedings of the National Academy of Sciences of the United States of America. 84: 8075-9. PMID 2446316 DOI: 10.1073/Pnas.84.22.8075  0.367
1985 Silverton EW, Padlan EA, Davies DR, Smith-Gill S, Potter M. Crystalline monoclonal antibody Fabs complexed to hen egg white lysozyme. Journal of Molecular Biology. 180: 761-5. PMID 6527381 DOI: 10.1016/0022-2836(84)90037-8  0.308
1985 Padlan EA, Cohen GH, Davies DR. On the specificity of antibody/antigen interactions: phosphocholine binding to McPC603 and the correlation of three-dimensional structure and sequence data. Annales De L'Institut Pasteur. Immunologie. 136: 271-276. PMID 3890687 DOI: 10.1016/S0769-2625(85)80058-1  0.363
1985 Padlan EA, Davies DR. A model of the Fc of immunoglobulin E Molecular Immunology. 23: 1063-1075. PMID 3796618 DOI: 10.1016/0161-5890(86)90005-2  0.303
1985 Satow Y, Cohen GH, Padlan EA, Davies DR. Phosphocholine binding immunoglobulin Fab McPC603. An X-ray diffraction study at 2.7 A. Journal of Molecular Biology. 190: 593-604. PMID 3097327 DOI: 10.1016/0022-2836(86)90245-7  0.391
1982 Cohen GH, Silverton EW, Davies DR. Refined crystal structure of gamma-chymotrypsin at 1.9 A resolution. Comparison with other pancreatic serine proteases. Journal of Molecular Biology. 148: 449-79. PMID 6914398 DOI: 10.1016/0022-2836(81)90186-8  0.336
1982 Rudikoff S, Satow Y, Padlan E, Davies D, Potter M. Kappa chain structure from a crystallized murine Fab': role of joining segment in hapten binding. Molecular Immunology. 18: 705-11. PMID 6796825 DOI: 10.1016/0161-5890(81)90062-6  0.333
1982 Bott R, Subramanian E, Davies DR. Three-dimensional structure of the complex of the Rhizopus chinensis carboxyl proteinase and pepstatin at 2.5-Å resolution Biochemistry. 21: 6956-6962. PMID 6760895 DOI: 10.1021/Bi00269A052  0.365
1979 Navia MA, Segal DM, Padlan EA, Davies DR, Rao N, Rudikoff S, Potter M. Crystal structure of galactan-binding mouse immunoglobulin J539 Fab at 4.5-A resolution. Proceedings of the National Academy of Sciences of the United States of America. 76: 4071-4. PMID 291062 DOI: 10.1073/Pnas.76.8.4071  0.33
1978 Zimmerman SB, Davies DR, Navia MA. An ordered single-stranded structure for polyadenylic acid in denaturing solvents. An X-ray fiber diffraction and model building study. Journal of Molecular Biology. 116: 317-30. PMID 599560 DOI: 10.1016/0022-2836(77)90219-4  0.361
1977 Padlan EA, Davies DR, Rudikoff S, Potter M. Structural basis for the specificity of phosphorylcholine-binding immunoglobulins. Immunochemistry. 13: 945-9. PMID 827496 DOI: 10.1016/0019-2791(76)90239-1  0.331
1977 Subramanian E, Liu M, Swan ID, Davies DR.. The crystal structure of an acid protease from Rhizopus chinensis at 2.5 A resolution. Adv Exp Med Biol.. 95: 33-41. PMID 596305 DOI: 10.1007/978-1-4757-0719-9_3  0.405
1977 Subramanian E, Swan ID, Liu M, Davies DR, Jenkins JA, Tickle IJ, Blundell TL. Homology among acid proteases: comparison of crystal structures at 3A resolution of acid proteases from Rhizopus chinensis and Endothia parasitica. Proceedings of the National Academy of Sciences of the United States of America. 74: 556-9. PMID 322132 DOI: 10.1073/Pnas.74.2.556  0.361
1977 Silverton EW, Navia MA, Davies DR. Three-dimensional structure of an intact human immunoglobulin. Proceedings of the National Academy of Sciences of the United States of America. 74: 5140-5144. PMID 270751 DOI: 10.1073/Pnas.74.11.5140  0.344
1976 Richardson JS, Richardson DC, Thomas KA, Silverton EW, Davies DR. Similarity of three-dimensional structure between the immunoglobulin domain and the copper, zinc superoxide dismutase subunit. Journal of Molecular Biology. 102: 221-35. PMID 1271464 DOI: 10.1016/S0022-2836(76)80050-2  0.35
1976 Subramanian E, Swan ID, Davies DR. The crystal at 5.5A resolution of an acid-protease from Rhizopus chinensis. Biochemical and Biophysical Research Communications. 68: 875-80. PMID 1259735 DOI: 10.1016/0006-291X(76)91226-2  0.328
1975 Segal DM, Padlan EA, Cohen GH, Rudikoff S, Potter M, Davies DR. The three-dimensional structure of a phosphorylcholine-binding mouse immunoglobulin Fab and the nature of the antigen binding site. Proceedings of the National Academy of Sciences of the United States of America. 71: 4298-302. PMID 4530984 DOI: 10.1073/Pnas.71.11.4298  0.376
1975 Sasisekharan V, Zimmerman S, Davies DR. The structure of helical 5'-guanosine monophosphate. Journal of Molecular Biology. 92: 171-9. PMID 1142422 DOI: 10.1016/0022-2836(75)90221-1  0.334
1975 Labaw LW, Padlan EA, Segal DM, Davies DR. An em study of phosphorylcholine-binding fab immunoglobulin fragment crystals. Journal of Ultrastructure Research. 51: 326-39. PMID 1138109 DOI: 10.1016/S0022-5320(75)80097-9  0.369
1975 Davies DR, Padlan EA, Segal DM. Three-dimensional structure of immunoglobulins. Annual Review of Biochemistry. 44: 639-67. PMID 806253 DOI: 10.1146/Annurev.Bi.44.070175.003231  0.335
1973 Rudikoff S, Potter M, Segal DM, Padlan EA, Davies DR. Crystals of phosphorylcholine-binding Fab-fragments from mouse myeloma proteins: preparation and x-ray analysis. Proceedings of the National Academy of Sciences of the United States of America. 69: 3689-92. PMID 4566456 DOI: 10.1073/Pnas.69.12.3689  0.365
1973 Padlan EA, Segal DM, Spande TF, Davies DR, Rudikoff S, Potter M. Structure at 4.5 A resolution of a phosphorylcholine-binding fab. Nature: New Biology. 245: 165-7. PMID 4517781 DOI: 10.1038/Newbio245165A0  0.344
1972 Sarma VR, Davies DR, Labaw LW, Silverton EW, Terry WD. Crystal structure of an immunoglobulin molecule by x-ray diffraction and electron microscopy. Cold Spring Harbor Symposia On Quantitative Biology. 36: 413-9. PMID 4508154 DOI: 10.1101/Sqb.1972.036.01.053  0.344
1970 Cohen GH, Matthews BW, Davies DR. The relation between gamma-and alpha-chymotrypsin. II. Direct comparison of the electron densities at 5-5 Angstrom resolution. Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry. 26: 1062-9. PMID 5537151  0.381
1969 Cohen GH, Silverton EW, Matthews BW, Braxton H, Davies DR. Structure of gamma-chymotrypsin at 5.5 A resolution. Journal of Molecular Biology. 44: 129-41. PMID 5822897 DOI: 10.1016/0022-2836(69)90409-4  0.513
1968 Matthews BW, Cohen GH, Silverton EW, Braxton H, Davies DR. Relation between gamma- and alpha-chymotrypsin. Journal of Molecular Biology. 36: 179-83. PMID 5760536 DOI: 10.1016/0022-2836(68)90228-3  0.429
1968 Terry WD, Matthews BW, Davies DR. Crystallographic studies of a human immunoglobulin. Nature. 220: 239-41. PMID 4176457 DOI: 10.1038/220239A0  0.485
1961 RICH A, DAVIES DR, CRICK FH, WATSON JD. The molecular structure of polyadenylic acid. Journal of Molecular Biology. 3: 71-86. PMID 13741242 DOI: 10.1016/S0022-2836(61)80009-0  0.47
1958 Davies DR, Rich A. THE FORMATION OF A HELICAL COMPLEX BETWEEN POLYINOSINIC ACID AND POLYCYTIDYLIC ACID Journal of the American Chemical Society. 80: 1003-1004. DOI: 10.1021/Ja01537A068  0.427
1957 Felsenfeld G, Davies DR, Rich A. FORMATION OF A THREE-STRANDED POLYNUCLEOTIDE MOLECULE Journal of the American Chemical Society. 79: 2023-2024. DOI: 10.1021/Ja01565A074  0.573
1956 Rich A, Davies DR. A NEW TWO STRANDED HELICAL STRUCTURE: POLYADENYLIC ACID AND POLYURIDYLIC ACID Journal of the American Chemical Society. 78: 3548-3549. DOI: 10.1021/Ja01595A086  0.457
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