Computed molecular surface electrostatic potentials of the nonionic and zwitterionic forms of glycine, histidine, and tetracycline

International Journal of Quantum Chemistry

Volumn 80, Issue 6, 2000, Pages 1216-1223

  Murray, Jane S ^a   Peralta Inga, Zenaida ^a   Politzer, Peter ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATICS; QUANTUM THEORY; STATISTICAL METHODS; SURFACE PROPERTIES;

GLYCINE; HISTIDINE; MOLECULAR SURFACE ELECTROSTATIC POTENTIALS; TETRACYCLINE;

NITROGEN COMPOUNDS;

EID: 0034538280     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2000)80:6<1216::AID-QUA8>3.0.CO;2-U     Document Type: Article

References (50)

1. Scrocco, E.; Tomasi, J. in Topics in Current Chemistry; Springer: Berlin, 1973; pp. 42, 95.
2. Politzer, P.; Daiker, K. C. in The Force Concept in Chemistry; Deb, B. M., ed.; Van Nostrand Reinhold: New York, 1981; Chap. 6.
3. Politzer, P.; Truhlar, D. G., eds. Chemical Applications of Atomic and Molecular Electrostatic Potentials; Plenum: New York, 1981.
4. Politzer, P.; Laurence, P. R.; Jayasuriya, K. Env Health Persp 1985, 61, 191-202.
5. Politzer, P.; Murray, J. S. in Reviews in Computional Chemistry; Lipkowitz, K. B.; Boyd, D. B., eds.; VCH: New York, 1991; Chap. 7.
6. Naray-Szabo, G.; Ferenczy, G. G. Chem Rev 1995, 95, 829.
7. Murray, J. S.; Politzer, P. in Encyclopedia of Computational Chemistry; Schleyer, P. v. R., ed.; Wiley: New York, 1998; Vol. 2, pp. 912-920.
8. Sjoberg, P.; Politzer, P. J Phys Chem 1990, 94, 3959-3961.
9. Murray, J. S.; Brinck, T.; Grice, M. E.; Politzer, P. J Mol Struct (Theochem) 1992, 256, 29-45.
10. Hagelin, H.; Brinck, T.; Berthelot, M.; Murray, J. S.; Politzer, P. Can J Chem 1995, 73, 483-488.
11. Murray, J. S.; Politzer, P. in Quantitative Treatments of Solute/Solvent Interactions; Murray, J. S.; Politzer, P., eds.; Elsevier: Amsterdam, 1994; Chap. 8.
12. Murray, J. S.; Brinck, T.; Lane, P.; Paulsen, K.; Politzer, P. J Mol Struct (Theochem) 1994, 307, 55-64.
13. Politzer, P.; Murray, J. S.; Brinck, T.; Lane, P. in Immunoanalysis of Agrochemicals: Emerging Technologies; Nelson, J. O.; Karn, A. E.; Wong, R. B., eds.; ACS Symp. Ser. 586; American Chemical Society: Washington, 1995; Chap. 8.
14. Politzer, P.; Murray, J. S.; Brinck, T.; Lane, P. in Immunoanalysis of Agrochemicals: Emerging Technologies; Nelson, J. O.; Karn, A. E.; Wong, R. B., eds.; ACS Symp. Ser. 586; American Chemical Society: Washington, 1995; Chap. 8.
15. Murray, J. S.; Politzer, P. J Mol Struct (Theochem) 1998, 425, 107-114.
16. Murray, J. S.; Brinck, T.; Politzer, P. Chem Phys 1996, 204, 289-299.
17. Politzer, P.; Murray, J. S.; Grice, M. E.; DeSalvo, M.; Miller, E. Mol Phys 1997, 91, 923-928.
18. Politzer, P.; Lane, P.; Murray, J. S.; Brinck, T. J Phys Chem 1992, 96, 7938-7943.
19. Politzer, P.; Murray, J. S.; Lane, P.; Brinck, T. J Phys Chem 1993, 97, 729-732.
20. Murray, J. S.; Gagarin, S.; Politzer, P. J Phys Chem 1995, 99, 12081-12083.
21. Murray, J. S.; Abu-Awwad, F.; Politzer, P. J Phys Chem 1999, 103, 1853-1856.
22. Politzer, P.; Abu-Awwad, F.; Murray, J. S. Int J Quantum Chem 2000, 76, 643-647.
23. Murray, J. S.; Lane, P.; Brinck, T.; Paulsen, K.; Grice, M. E.; Politzer, P. J Phys Chem 1993, 97, 9369-9373.
24. Brinck, T.; Murray, J. S.; Politzer, P. J Org Chem 1993, 58, 7070-7073.
25. Murray, J. S.; Brinck, T.; Politzer, P. J Phys Chem 1993, 97, 13807-13809.
26. Politzer, P.; Murray, J. S.; Flodmark, P. J Phys Chem 1996, 100, 5538-5540.
27. Politzer, P.; Murray, J. S. J Phys Chem A 1998, 102, 1018-1020.
28. Politzer, P.; Murray, J. S. Mol Phys 1998, 93, 187-194.
29. Murray, J. S.; Peralta-Inga, Z.; Politzer, P. Int J Quantum Chem 1999, 75, 267-273.
30. Stezowski, J. J. J Am Chem Soc 1976, 98, 6012-6018.
31. Lehninger, A. L. Biochemistry; Worth: New York, 1970; Chap. 4.
32. Durckheimer, W. Angew Chem Internat Ed Engl 1975, 14, 721.
33. Goth, A. Medical Pharmacology; C. V. Mosby: St. Louis, MO, 1972.
34. Abraham, E. P. Pharmacol Rev 1962, 14, 473.
35. Gale, E. F. Pharmacol Rev 1963, 15, 481.
36. White, J. P.; Cantor, C. R. J Mol Biol 1971, 58, 397.
37. Fey, F.; Reiss, M.; Kersten, K. Biochemistry 1973, 12, 1160.
38. Tritton, T. R. Biochemistry 1977, 16, 4133.
39. Lambs, L.; Brion, M.; Berthon, G. Agents Actions 1984, 14, 743.
40. Saxen, L. Science 1965, 149, 870.
41. Prewo, R.; Stezowski, J. J. J Am Chem Soc 1977, 99, 1117-1121.
42. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dappich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.; Aayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rubuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.5; Gaussian: Pittsburgh, 1998.
43. Bader, R. F. W.; Carroll, M. T.; Cheeseman, J. R.; Chang, C. J Am Chem Soc 1987, 109, 7968.
44. Grenie, Y.; Lassegues, J. C.; Garrigon-LaGrange, C. J Chem Phys 1970, 53, 2980.
45. Theoret, A. Spectrochim Acta A 1971, 27, 11.
46. Wada, G.; Tamura, E.; Okina, M.; Nakamura, M. Bull Chem Soc Jpn 1992, 55, 3064.
47. Destro, R.; Roversi, P.; Barzaghi, M.; Marsh, R. E. J Phys Chem A 2000, 104, 1047.
48. Jones, Jr., M. Organic Chemistry, 2nd ed.; Norton: New York, 2000.
49. Murray, J. S.; Abu-Awwad, F.; Politzer, P. J Phys Chem A 1999, 103, 1853-1856.
50. Gaffney, J. S.; Pierce, R. C.; Friedman, L. J Am Chem Soc 1977, 99, 4293-4298.