SCOPUS 정보 검색 플랫폼

Journal of Chemical Theory and Computation

Volumn 3, Issue 4, 2007, Pages 1569-1579

Molecular dynamics of organophosphorous hydrolases bound to the nerve agent soman

(3) Soares, Thereza A a Osman, Mohamed A b Straatsma, T P a

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

b Washington State University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36048984357 PISSN: 15499618 EISSN: None Source Type: Journal
DOI: 10.1021/ct700024h Document Type: Article

Times cited : (19)

References (61)

1
- 0026736172
- Gunderson, C. H.; Lehmann, C. R.; Sidell, F. R.; Jabbari, B. Neurology 1992, 43, 946-950.
- (1992) Neurology , vol.43 , pp. 946-950
- Gunderson, C.H.¹ Lehmann, C.R.² Sidell, F.R.³ Jabbari, B.⁴

2
- 0031754195
- Brown, M. A.; Brix, K. J. Appl. Toxicol. 1998, 6, 393-408.
- (1998) J. Appl. Toxicol , vol.6 , pp. 393-408
- Brown, M.A.¹ Brix, K.²

3
- 0031929501
- Lallement, G.; Clarencon, D.; Masqueliez, C.; Baubichon, D.; Galonnier, M.; Burckhart, M.; Peoc'h, M. F.; Mestries, J. C. Arch. Toxicol. 1998, 2, 84-92.
- (1998) Arch. Toxicol , vol.2 , pp. 84-92
- Lallement, G.¹ Clarencon, D.² Masqueliez, C.³ Baubichon, D.⁴ Galonnier, M.⁵ Burckhart, M.⁶ Peoc'h, M.F.⁷ Mestries, J.C.⁸

4
- 0030884927
- Polhuijs, M.; Langenberg, J. P.; Benschop, H. P. Toxicol. Appl. Pharmacol. 1997, 1, 156-161.
- (1997) Toxicol. Appl. Pharmacol , vol.1 , pp. 156-161
- Polhuijs, M.¹ Langenberg, J.P.² Benschop, H.P.³

5
- 0026748791
- Omburo, G. A.; Kuo, J. M.; Mullins, L. S.; Raushel, F. M. J. Biol. Chem. 1992, 267, 13278-13283.
- (1992) J. Biol. Chem , vol.267 , pp. 13278-13283
- Omburo, G.A.¹ Kuo, J.M.² Mullins, L.S.³ Raushel, F.M.⁴

6
- 0025836538
- Caldwell, S. R.; Newcomb, J. R.; Schlechtand, K. A.; Raushel, F. M. Biochemistry 1991, 30, 7438-7444.
- (1991) Biochemistry , vol.30 , pp. 7438-7444
- Caldwell, S.R.¹ Newcomb, J.R.² Schlechtand, K.A.³ Raushel, F.M.⁴

7
- 0034908590
- Li, W. A.; Lum, K. T.; Chen-Goodspeed, M.; Sogorb, M. A.; Raushel, F. M. Bioorg. Med. Chem. 2001, 9, 2083-2091.
- (2001) Bioorg. Med. Chem , vol.9 , pp. 2083-2091
- Li, W.A.¹ Lum, K.T.² Chen-Goodspeed, M.³ Sogorb, M.A.⁴ Raushel, F.M.⁵

8
- 0038208150
- Li, W. A.; Aubert, S. D.; Raushel, F. M. J. Am. Chem. Soc. 2003, 125, 7526-7527.
- (2003) J. Am. Chem. Soc , vol.125 , pp. 7526-7527
- Li, W.A.¹ Aubert, S.D.² Raushel, F.M.³

9
- 0035814818
- Chen-Goodspeed, M.; Sogorb, M. A.; Wu, F. Y.; Hong, S. B.; Raushel, F. M. Biochemistry 2001, 40, 1325-1331.
- (2001) Biochemistry , vol.40 , pp. 1325-1331
- Chen-Goodspeed, M.¹ Sogorb, M.A.² Wu, F.Y.³ Hong, S.B.⁴ Raushel, F.M.⁵

10
- 0035814812
- Chen-Goodspeed, M.; Sogorb, M. A.; Wu, F. Y.; Raushel, F. M. Biochemistry 2001, 40, 1332-1339.
- (2001) Biochemistry , vol.40 , pp. 1332-1339
- Chen-Goodspeed, M.¹ Sogorb, M.A.² Wu, F.Y.³ Raushel, F.M.⁴

11
- 0034694836
- Gopal, S.; Rastogi, V.; Ashman, W.; Mulbry, W. Biochem. Biophys. Res. Commun. 2000, 279, 516-517.
- (2000) Biochem. Biophys. Res. Commun , vol.279 , pp. 516-517
- Gopal, S.¹ Rastogi, V.² Ashman, W.³ Mulbry, W.⁴

12
- 0025290724
- Dumas, D. P.; Wild, J. R.; Raushel, F. M. Experientia 1990, 46, 729-731.
- (1990) Experientia , vol.46 , pp. 729-731
- Dumas, D.P.¹ Wild, J.R.² Raushel, F.M.³

13
- 0041866683
- Hill, C. M.; Li, W. S.; Thoden, J. B.; Holden, M. H.; Raushel, F. M. J. Am. Chem. Soc. 2004, 125, 8990-8991.
- (2004) J. Am. Chem. Soc , vol.125 , pp. 8990-8991
- Hill, C.M.¹ Li, W.S.² Thoden, J.B.³ Holden, M.H.⁴ Raushel, F.M.⁵

14
- 0021358209
- Benschop, H. P.; Konings, C.; van Genderen, J.; de Jong, L. P. A. Toxicol. Appl. Pharmacol. 1984, 72, 61-74.
- (1984) Toxicol. Appl. Pharmacol , vol.72 , pp. 61-74
- Benschop, H.P.¹ Konings, C.² van Genderen, J.³ de Jong, L.P.A.⁴

15
- 0037174353
- Lei, C.; Shin, Y.; Liu, J.; Ackerman, E. J. J. Am. Chem. Soc. 2002, 124, 11242-11243.
- (2002) J. Am. Chem. Soc , vol.124 , pp. 11242-11243
- Lei, C.¹ Shin, Y.² Liu, J.³ Ackerman, E.J.⁴

16
- 0028609492
- Benning, M. M.; Kuo, J. M.; Raushel, F. M.; Holden, H. Biochemistry 1994, 33, 15001-15007.
- (1994) Biochemistry , vol.33 , pp. 15001-15007
- Benning, M.M.¹ Kuo, J.M.² Raushel, F.M.³ Holden, H.⁴

17
- 0029032588
- Benning, M. M.; Kuo, J. M.; Raushel, F. M.; Holden, H. Biochemistry 1995, 34, 7973-7978.
- (1995) Biochemistry , vol.34 , pp. 7973-7978
- Benning, M.M.¹ Kuo, J.M.² Raushel, F.M.³ Holden, H.⁴

18
- 0029993512
- Vanhooke, J. L.; Benning, M. M.; Raushel, F. M.; Holden, H. M. Biochemistry 1996, 35, 6020-6025.
- (1996) Biochemistry , vol.35 , pp. 6020-6025
- Vanhooke, J.L.¹ Benning, M.M.² Raushel, F.M.³ Holden, H.M.⁴

19
- 26844462157
- Grimsley, J. K.; Calamini, B.; Wild, J. R.; Mesecar, A. D. Arch. Biochem. Biophys. 2005, 442, 169-179.
- (2005) Arch. Biochem. Biophys , vol.442 , pp. 169-179
- Grimsley, J.K.¹ Calamini, B.² Wild, J.R.³ Mesecar, A.D.⁴

20
- 3042819076
- Rochu, D. N.; Viguié, F. R.; Crouzier, D.; Froment, M. T.; Masson, P. Biochem. J. 2004, 380, 627-633.
- (2004) Biochem. J , vol.380 , pp. 627-633
- Rochu, D.N.¹ Viguié, F.R.² Crouzier, D.³ Froment, M.T.⁴ Masson, P.⁵

21
- 2442496666
- Aubert, S. D.; Li, Y. C.; Raushel, F. M. Biochemistry 1994, 43, 5707-5715.
- (1994) Biochemistry , vol.43 , pp. 5707-5715
- Aubert, S.D.¹ Li, Y.C.² Raushel, F.M.³

22
- 33748619206
- Boehr, D. D.; Dyson, H. J.; Wright, P. E. Chem. Rev. 2006, 106, 3055-3079.
- (2006) Chem. Rev , vol.106 , pp. 3055-3079
- Boehr, D.D.¹ Dyson, H.J.² Wright, P.E.³

23
- 33748781457
- Boehr, D. D.; McElheny, D.; Dyson, H. J.; Wright, P. E. Science 2006, 13, 1638-1642.
- (2006) Science , vol.13 , pp. 1638-1642
- Boehr, D.D.¹ McElheny, D.² Dyson, H.J.³ Wright, P.E.⁴

24
- 3042660150
- Schnell, J. R.; Dyson, H. J.; Wright, P. E. Annu. Rev. Biophys. Biomol. Struct. 2004, 33, 119-140.
- (2004) Annu. Rev. Biophys. Biomol. Struct , vol.33 , pp. 119-140
- Schnell, J.R.¹ Dyson, H.J.² Wright, P.E.³

25
- 36048983949
- Enzyme and Substrate Complementarity and Binding Energy
- W. H. Freeman: New York
- Fersht, A. Enzyme and Substrate Complementarity and Binding Energy. In Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding; W. H. Freeman: New York, 1998.
- (1998) Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding
- Fersht, A.¹

26
- 0026320866
- Frauenfelder, H.; Sligar, S. G.; Wolynes, P. G. Science 1991, 254, 1598-1603.
- (1991) Science , vol.254 , pp. 1598-1603
- Frauenfelder, H.¹ Sligar, S.G.² Wolynes, P.G.³

27
- 0035819590
- Koça, J.; Zhan, C. G.; Rittenhouse, R. C.; Ornstein, R. J. Am. Chem. Soc. 2003, 123, 817-826.
- (2003) J. Am. Chem. Soc , vol.123 , pp. 817-826
- Koça, J.¹ Zhan, C.G.² Rittenhouse, R.C.³ Ornstein, R.⁴

28
- 36049009903
- Straatsma, T. P. NWChem, a Computational Chemistry Package for Parallel Computers, version 4.5; Pacific Northwest National Laboratory: Richland, WA, 2003
- Straatsma, T. P. NWChem, a Computational Chemistry Package for Parallel Computers, version 4.5; Pacific Northwest National Laboratory: Richland, WA, 2003.

29
- 0029115487
- State, R. H.; Karplus, M. Proteins: Struct., Funct., Genet. 1995, 23, 12-31.
- (1995) Proteins: Struct., Funct., Genet , vol.23 , pp. 12-31
- State, R.H.¹ Karplus, M.²

30
- 0001470765
- Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560-571.
- (1992) Can. J. Chem , vol.70 , pp. 560-571
- Godbout, N.¹ Salahub, D.R.² Andzelm, J.³ Wimmer, E.⁴

31
- 3042524904
- Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. J. Phys. Chem. 1993, 97, 10269-10280.
- (1993) J. Phys. Chem , vol.97 , pp. 10269-10280
- Bayly, C.I.¹ Cieplak, P.² Cornell, W.D.³ Kollman, P.A.⁴

32
- 0029011701
- Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197.
- (1995) J. Am. Chem. Soc , vol.117 , pp. 5179-5197
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz, K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, W.⁹ Kollman, P.A.¹⁰

33
- 1242346370
- Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271.
- (1987) J. Phys. Chem , vol.91 , pp. 6269-6271
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

34
- 33750587438
- Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690.
- (1984) J. Chem. Phys , vol.81 , pp. 3684-3690
- Berendsen, H.J.C.¹ Postma, J.P.M.² van Gunsteren, W.F.³ DiNola, A.⁴ Haak, J.R.⁵

35
- 0000432120
- The Potential Calculation and Some Applications
- Alder, B, Fernbach, S, Rotenberg, M, Eds, Academic Press: New York
- Hockney, R. W. The Potential Calculation and Some Applications. In Methods in Computational Physics; Alder, B., Fernbach, S., Rotenberg, M., Eds.; Academic Press: New York, 1970; Vol. 9.
- (1970) Methods in Computational Physics , vol.9
- Hockney, R.W.¹

36
- 33646940952
- Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1977, 23, 327-341.
- (1977) J. Comput. Phys , vol.23 , pp. 327-341
- Ryckaert, J.P.¹ Ciccotti, G.² Berendsen, H.J.C.³

37
- 33645961739
- Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577-8593.
- (1995) J. Chem. Phys , vol.103 , pp. 8577-8593
- Essmann, U.¹ Perera, L.² Berkowitz, M.L.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.G.⁶

38
- 36048959741
- Data Intensive Computing for Complex Biological Systems
- Technical Report, Pacific Northwest National Laboratory: Richland, WA
- Straatsma, T. P. Data Intensive Computing for Complex Biological Systems; Technical Report 2007, Pacific Northwest National Laboratory: Richland, WA, 2007.
- (2007) , pp. 2007
- Straatsma, T.P.¹

39
- 0031008575
- Froloff, N.; Windemuth, A.; Honig, B. H. Protein Sci. 1997, 6, 1293-1301.
- (1997) Protein Sci , vol.6 , pp. 1293-1301
- Froloff, N.¹ Windemuth, A.² Honig, B.H.³

40
- 0035964342
- Baker, N. A.; Sept, D.; Joseph, S.; Holst, M. J.; McCammon, J. A. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 10037-10041.
- (2001) Proc. Natl. Acad. Sci. U.S.A , vol.98 , pp. 10037-10041
- Baker, N.A.¹ Sept, D.² Joseph, S.³ Holst, M.J.⁴ McCammon, J.A.⁵

41
- 84988087911
- Gilson, M. K.; Sharp, K. A.; Honig, B. H J. Comput. Chem. 1988, 9, 327-335.
- (1988) J. Comput. Chem , vol.9 , pp. 327-335
- Gilson, M.K.¹ Sharp, K.A.² Honig, B.H.³

42
- 0000831520
- Simonson, T.; Brünger, A. T. J. Phys. Chem. 1994, 98, 4683-4694.
- (1994) J. Phys. Chem , vol.98 , pp. 4683-4694
- Simonson, T.¹ Brünger, A.T.²

43
- 0028929583
- Honig, B. H.; Yang, A. S. Adv. Protein Chem. 1995, 46, 27-58.
- (1995) Adv. Protein Chem , vol.46 , pp. 27-58
- Honig, B.H.¹ Yang, A.S.²

44
- 0031058541
- Gilson, M. K.; Given, J. A.; Bush, B. L.; McCammon, J. A. Biophys. J. 1997, 72, 1047-1069.
- (1997) Biophys. J , vol.72 , pp. 1047-1069
- Gilson, M.K.¹ Given, J.A.² Bush, B.L.³ McCammon, J.A.⁴

45
- 0028871798
- Doig, A. J.; Sternberg, M. J. E. Protein Sci. 1995, 4, 2247-2251.
- (1995) Protein Sci , vol.4 , pp. 2247-2251
- Doig, A.J.¹ Sternberg, M.J.E.²

46
- 0028861437
- Janin, J. Proteins: Struct., Funct., Genet. 1995, 21, 30-39.
- (1995) Proteins: Struct., Funct., Genet , vol.21 , pp. 30-39
- Janin, J.¹

47
- 36048943199
- Personal communication
- Raushel, F. M. Personal communication, 2006.
- (2006)
- Raushel, F.M.¹

48
- 24044512145
- Samples, C. R.; Howard, T.; Raushel, F. M.; DeRose, V. J. Biochemistry 2005, 44, 11005-11013.
- (2005) Biochemistry , vol.44 , pp. 11005-11013
- Samples, C.R.¹ Howard, T.² Raushel, F.M.³ DeRose, V.J.⁴

49
- 0037328259
- Koça, J.; Zhan, C. G.; Rittenhouse, R. C.; Ornstein, R. L. J. Comput. Chem. 2003, 24, 368-378.
- (2003) J. Comput. Chem , vol.24 , pp. 368-378
- Koça, J.¹ Zhan, C.G.² Rittenhouse, R.C.³ Ornstein, R.L.⁴

50
- 0035814923
- Benning, M. M.; Shim, H.; Raushel, F. M.; Holden, H. M. Biochemistry 1998, 40, 2712-2722.
- (1998) Biochemistry , vol.40 , pp. 2712-2722
- Benning, M.M.¹ Shim, H.² Raushel, F.M.³ Holden, H.M.⁴

51
- 0034730534
- Benning, M. M.; Hong, S. B.; Raushel, F. M.; Holden, H. M. J. Biol. Chem. 2000, 275, 30556-30560.
- (2000) J. Biol. Chem , vol.275 , pp. 30556-30560
- Benning, M.M.¹ Hong, S.B.² Raushel, F.M.³ Holden, H.M.⁴

52
- 0029759529
- Hong, S. B.; Raushel, F. M. Biochemistry 1996, 35, 10904-10912.
- (1996) Biochemistry , vol.35 , pp. 10904-10912
- Hong, S.B.¹ Raushel, F.M.²

53
- 0030711517
- Grimsley, J. K.; Scholtz, J. M.; Pacehand, C. N.; Wild, J. R. Biochemistry 1997, 36, 14366-14374.
- (1997) Biochemistry , vol.36 , pp. 14366-14374
- Grimsley, J.K.¹ Scholtz, J.M.² Pacehand, C.N.³ Wild, J.R.⁴

54
- 0033032010
- Di-Sioudi, B. D.; Miller, C. E.; Lai, K.; Grimsley, J. K.; Wild, J. R. Chem. Biol. Interact. 1999, 14, 211-223.
- (1999) Chem. Biol. Interact , vol.14 , pp. 211-223
- Di-Sioudi, B.D.¹ Miller, C.E.² Lai, K.³ Grimsley, J.K.⁴ Wild, J.R.⁵

55
- 0032464349
- Alberts, I. L.; Nadassy, K.; Wodak, S. J. Protein Sci. 1998, 7, 1700-1716.
- (1998) Protein Sci , vol.7 , pp. 1700-1716
- Alberts, I.L.¹ Nadassy, K.² Wodak, S.J.³

56
- 0037366128
- Dudev, T.; Lim, C. Chem. Rev. 2003, 103, 773-787.
- (2003) Chem. Rev , vol.103 , pp. 773-787
- Dudev, T.¹ Lim, C.²

57
- 32544444622
- Wang, M. D. J.; Dudev, T.; Lim, C. J. Phys Chem. B 2006, 110, 1889-1895.
- (2006) J. Phys Chem. B , vol.110 , pp. 1889-1895
- Wang, M.D.J.¹ Dudev, T.² Lim, C.³

58
- 0000609585
- Bock, C. W.; Katz, A. K.; Glusker, J. P. J. Am. Chem. Soc. 1995, 117, 3754-3765.
- (1995) J. Am. Chem. Soc , vol.117 , pp. 3754-3765
- Bock, C.W.¹ Katz, A.K.² Glusker, J.P.³

59
- 0034669246
- Dudev, T.; Lim, C. J. Am. Chem. Soc. 2000, 122, 11146-11153.
- (2000) J. Am. Chem. Soc , vol.122 , pp. 11146-11153
- Dudev, T.¹ Lim, C.²

60
- 7744244599
- Lipscomb, W. N.; Strater, N. Chem. Rev. 1996, 96, 2375-2433.
- (1996) Chem. Rev , vol.96 , pp. 2375-2433
- Lipscomb, W.N.¹ Strater, N.²

61
- 0032882552
- Christianson, D. W.; Cox, J. D. Annu. Rev. Biochem. 1999, 68, 33-57.
- (1999) Annu. Rev. Biochem , vol.68 , pp. 33-57
- Christianson, D.W.¹ Cox, J.D.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.