Crossref journal-article
American Chemical Society (ACS)
Journal of Chemical Information and Modeling (316)
Bibliography

Melville, J. L., Lovelock, K. R. J., Wilson, C., Allbutt, B., Burke, E. K., Lygo, B., & Hirst, J. D. (2005). Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships. Journal of Chemical Information and Modeling, 45(4), 971–981.

Authors 7
  1. James L. Melville (first)
  2. Kevin R. J. Lovelock (additional)
  3. Claire Wilson (additional)
  4. Bryan Allbutt (additional)
  5. Edmund K. Burke (additional)
  6. Barry Lygo (additional)
  7. Jonathan D. Hirst (additional)
References 58 Referenced 45
  1. 10.1248/cpb.52.1031 / Chem. Pharm. Bull. by Ohshima T (2004)
  2. 10.1023/A:1019164928084 / Top. Catal. by Blaser H. U. (1997)
  3. 10.1016/S1359-6446(00)01515-4 / Drug Discovery Today by Beroza P. (2000)
  4. {'volume-title': 'Comprehensive Asymmetric Catalysis', 'year': '1999', 'author': 'Jacobsen E. N.', 'key': 'ci050051lb00004/ci050051lb00004_1'} / Comprehensive Asymmetric Catalysis by Jacobsen E. N. (1999)
  5. 10.1016/S1367-5931(03)00058-9 / Curr. Opin. Chem. Biol. by Murphy V. (2003)
  6. 10.1021/cr020058r / Chem. Rev. by Gennari C. (2003)
  7. {'key': 'ci050051lb00007/ci050051lb00007_1', 'first-page': '326', 'volume': '8', 'author': 'Hechavarría Fonseca M.', 'year': '2004', 'journal-title': 'Curr. Opin. Chem. Biol.'} / Curr. Opin. Chem. Biol. by Hechavarría Fonseca M. (2004)
  8. {'key': 'ci050051lb00008/ci050051lb00008_1', 'first-page': '948', 'volume': '38', 'author': 'Cundari T. R.', 'year': '1998', 'journal-title': 'J. Chem. Inf. Comput. Sci.'} / J. Chem. Inf. Comput. Sci. by Cundari T. R. (1998)
  9. {'key': 'ci050051lb00009/ci050051lb00009_1', 'first-page': '1565', 'volume': '1547', 'author': 'Lipkowitz K. B.', 'year': '2003', 'journal-title': 'Synlett'} / Synlett by Lipkowitz K. B. (2003)
  10. 10.1021/ja0207192 / J. Am. Chem. Soc. by Lipkowitz K. B. (2002)
  11. 10.1002/chir.10292 / Chirality by Lipkowitz K. B. (2003)
  12. 10.1021/jo020401s / J. Org. Chem. by Kozlowski M. C. (2003)
  13. {'volume-title': 'A novel approach for investigating enantioselectivity in asymmetric hydrogenation. Tetrahedron:\u2009 Asymmetry', 'year': '2004', 'author': 'Shimizu H.', 'key': 'ci050051lb00013/ci050051lb00013_1'} / A novel approach for investigating enantioselectivity in asymmetric hydrogenation. Tetrahedron:  Asymmetry by Shimizu H. (2004)
  14. 10.1021/ci0000023 / J. Chem. Inf. Comput. Sci. by Cundari T. R. (2000)
  15. 10.1023/B:JCAM.0000047813.47656.36 / J. Comput.-Aided Mol. Des. by Harriman D. J. (2004)
  16. {'key': 'ci050051lb00016/ci050051lb00016_1', 'first-page': '409', 'volume': '20', 'author': 'Kozlowksi M. C.', 'year': '2002', 'journal-title': 'J. Mol. Graph. Modell.'} / J. Mol. Graph. Modell. by Kozlowksi M. C. (2002)
  17. 10.1021/ci034171+ / J. Chem. Inf. Comput. Sci. by Cawse J. N. (2004)
  18. 10.1021/ol026971w / Org. Lett. by Kozlowski M. C. (2002)
  19. 10.1021/ja00106a053 / J. Am. Chem. Soc. by Zabrodsky H. (1995)
  20. {'key': 'ci050051lb00020/ci050051lb00020_1', 'first-page': '9482', 'volume': '121', 'author': 'Gao D.', 'year': '1999', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Gao D. (1999)
  21. 10.1021/ja015903m / J. Am. Chem. Soc. by Lipkowitz K. B. (2001)
  22. {'key': 'ci050051lb00022/ci050051lb00022_1', 'first-page': '5837', 'volume': '9', 'author': 'Alvarez S.', 'year': '2003', 'journal-title': 'Chem. Eur. J.'} / Chem. Eur. J. by Alvarez S. (2003)
  23. 10.1002/anie.200460731 / Angew. Chem., Int. Ed. by Klanner C. (2004)
  24. 10.1021/ci034119d / J. Chem. Inf. Comput. Sci. by Jiang C. (2003)
  25. {'key': 'ci050051lb00025/ci050051lb00025_1', 'first-page': '375', 'volume': '41', 'author': 'Aires', 'year': '2001', 'journal-title': 'J. Chem. Inf. Comput. Sci.'} / J. Chem. Inf. Comput. Sci. by Aires (2001)
  26. {'volume-title': 'Oxazaborolidine mediated asymmetric ketone reduction:\u2009 prediction of enantiomeric excess based on catalyst structure. Tetrahedron:\u2009 Asymmetry', 'year': '2004', 'author': 'Hoogenraad M.', 'key': 'ci050051lb00026/ci050051lb00026_1'} / Oxazaborolidine mediated asymmetric ketone reduction:  prediction of enantiomeric excess based on catalyst structure. Tetrahedron:  Asymmetry by Hoogenraad M. (2004)
  27. 10.1021/ci020047z / J. Chem. Inf. Comput. Sci. by Funar-Timofei S. (2003)
  28. 10.1021/ja00226a005 / J. Am. Chem. Soc. by Cramer R. D. (1988)
  29. 10.1021/jo0267697 / J. Org. Chem. by Lipkowitz K. B. (2003)
  30. 10.1002/jcc.20142 / J. Comput. Chem. by Dixon S. (2005)
  31. 10.1021/ja0293195 / J. Am. Chem. Soc. by Kozlowski M. C. (2003)
  32. {'key': 'ci050051lb00032/ci050051lb00032_1', 'first-page': '1411', 'volume': '1410', 'author': 'Melville J. L.', 'year': '2004', 'journal-title': 'Chem. Commun.'} / Chem. Commun. by Melville J. L. (2004)
  33. {'key': 'ci050051lb00033/ci050051lb00033_1', 'first-page': '5632', 'volume': '44', 'author': 'Lygo B.', 'year': '2003', 'journal-title': 'Tetrahedron Lett.'} / Tetrahedron Lett. by Lygo B. (2003)
  34. 10.1021/jm020194o / J. Med. Chem. by Cramer R. D. (2003)
  35. {'key': 'ci050051lb00035/ci050051lb00035_1', 'first-page': '519', 'volume': '17', 'author': 'Halgren T. A', 'year': '1996', 'journal-title': 'J. Comput. Chem.'} / J. Comput. Chem. by Halgren T. A (1996)
  36. 10.1002/jcc.540040211 / J. Comput. Chem. by Brooks B. R. (1983)
  37. 10.1021/ja00172a038 / J. Am. Chem. Soc. by Still W. C. (1990)
  38. 10.1021/jp984440c / J. Phys. Chem. B by Dominy B. N. (1999)
  39. 10.1021/ja9718937 / J. Am. Chem. Soc. by Hopfinger A. J. (1997)
  40. 10.1016/S0166-1280(00)00369-9 / J. Mol. Struct. (THEOCHEM) by Broughton H. B. (2000)
  41. 10.1021/ci034100a / J. Chem. Inf. Comput. Sci. by Lukacova V. (2003)
  42. 10.1016/0263-7855(96)00018-5 / J. Mol. Graph. by Humphrey W. (1996)
  43. {'key': 'ci050051lb00043/ci050051lb00043_1', 'first-page': '828', 'volume': '34', 'author': 'Kabsch W', 'year': '1978', 'journal-title': 'Acta Crystallogr.'} / Acta Crystallogr. by Kabsch W (1978)
  44. 10.1002/jcc.540100804 / J. Comput. Chem. by Clark M. (1989)
  45. 10.1016/0040-4020(80)80168-2 / Tetrahedron by Gasteiger J. (1980)
  46. 10.1021/ci049944o / J. Chem. Inf. Comput. Sci. by Melville J. L. (2004)
  47. 10.1007/BF00124324 / J. Comput.-Aided Mol. Des. by Jones G. (1995)
  48. {'key': 'ci050051lb00048/ci050051lb00048_1', 'first-page': '130', 'volume': '58', 'author': 'Wold S.', 'year': '2001', 'journal-title': 'Chemom. Intell. Lab. Syst.'} / Chemom. Intell. Lab. Syst. by Wold S. (2001)
  49. 10.1016/0169-7439(93)85002-X / Chemom. Intell. Lab. Syst. by de Jong S. (1993)
  50. 10.1080/00401706.1978.10489693 / Technometrics by Wold S (1978)
  51. 10.1002/qsar.200330847 / QSAR Comb. Sci. by Kellogg G. E. (2003)
  52. {'volume-title': '1699 South Hanley Road', 'author': 'Tripos Inc.', 'key': 'ci050051lb00052/ci050051lb00052_1'} / 1699 South Hanley Road by Tripos Inc.
  53. 10.1021/ci025626i / J. Chem. Inf. Comput. Sci. by Hawkins D. M. (2003)
  54. 10.1021/ci0342472 / J. Chem. Inf. Comput. Sci. by Hawkins D. M (2004)
  55. 10.1111/j.2517-6161.1974.tb00994.x / J. Royal Stat. Soc. B by Stone M (1974)
  56. 10.1023/A:1008987426876 / Stat. Comput. by Jonathan P. (2000)
  57. 10.1023/A:1025365722403 / J. Comput.-Aided Mol. Des. by Hormann R. E. (2003)
  58. 10.1002/jcc.10175 / J. Comput. Chem. by Smellie A. (2003)
Dates
Type When
Created 20 years ago (July 25, 2005, 3:12 p.m.)
Deposited 7 months, 3 weeks ago (Jan. 2, 2025, 12:40 p.m.)
Indexed 1 month, 3 weeks ago (June 30, 2025, 2:42 p.m.)
Issued 20 years, 3 months ago (May 5, 2005)
Published 20 years, 3 months ago (May 5, 2005)
Published Online 20 years, 3 months ago (May 5, 2005)
Published Print 20 years, 1 month ago (July 1, 2005)
Funders 0

None

@article{Melville_2005, title={Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships}, volume={45}, ISSN={1549-960X}, url={http://dx.doi.org/10.1021/ci050051l}, DOI={10.1021/ci050051l}, number={4}, journal={Journal of Chemical Information and Modeling}, publisher={American Chemical Society (ACS)}, author={Melville, James L. and Lovelock, Kevin R. J. and Wilson, Claire and Allbutt, Bryan and Burke, Edmund K. and Lygo, Barry and Hirst, Jonathan D.}, year={2005}, month=may, pages={971–981} }