SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 118, Issue 44, 1996, Pages 10940-10941

Quantum mechanical study of aqueous polarization effects on biological macromolecules

(3) York, Darrin M a,b Lee, Tai Sung a Yang, Weitao a

a DUKE UNIVERSITY (United States)

b HARVARD UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DNA STRUCTURE; MOLECULAR DYNAMICS; PROTEIN STRUCTURE; QUANTUM MECHANICS;

EID: 0029799206 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja961937w Document Type: Article

Times cited : (57)

References (42)

1
- 0026285122
- Friesner, R. A. Annu. Rev, Phys. Chem. 1991, 42, 341.
- (1991) Annu. Rev, Phys. Chem. , vol.42 , pp. 341
- Friesner, R.A.¹

2
- 4243973637
- Yang, W. Phys. Rev. Lett. 1991, 66, 438.
- (1991) Phys. Rev. Lett. , vol.66 , pp. 438
- Yang, W.¹

3
- 34047262363
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1991) Phys. Rev. B , vol.44 , pp. 8454
- Cortona, P.¹

4
- 84956123907
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1992) Europhys. Lett , vol.17 , pp. 547
- Baroni, S.¹ Giannozzi, P.²

5
- 3843075351
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1992) Phys. Rev. Lett. , vol.69 , pp. 3547
- Galli, G.¹ Parinello, M.²

6
- 35949007371
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. B. , vol.47 , pp. 10891
- Li, X.-P.¹ Nunes, W.² Vanderbilt, D.³

7
- 33645704666
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. B , vol.47 , pp. 9973
- Mauri, F.¹ Galli, G.² Car, R.³

8
- 33744671412
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. B , vol.48 , pp. 14646
- Ordejón, P.¹ Drabold, D.A.² Grumback, M.P.³ Martin, R.M.⁴

9
- 0041559004
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. B , vol.49 , pp. 3898
- Stechel, E.B.¹ Williams, A.P.² Feibelman, P.J.³

10
- 0041559005
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. B , vol.47 , pp. 10899
- Daw, M.S.¹

11
- 12044250206
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Phys. Rev. Lett. , vol.70 , pp. 3631
- Drabold, D.A.¹ Sankey, O.F.²

12
- 33744598432
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1993) Chem. Phys. Lett. , vol.208 , pp. 167
- Kohn, W.¹

13
- 0001131626
- Cortona, P. Phys. Rev. B 1991,44, 8454. Baroni, S.; Giannozzi, P. Europhys. Lett, 1992, 17, 547. Galli, G.; Parinello, M. Phys. Rev. Lett. 1992, 69, 3547. Li, X.-P.; Nunes, W.; Vanderbilt, D. Phys. Rev. B. 1993, 47, 10891. Mauri, F.; Galli, G.; Car, R. Phys. Rev. B 1993, 47, 9973. Ordejón, P.; Drabold, D. A.; Grumback, M. P.; Martin, R. M. Phys. Rev. B 1993, 48, 14646. Stechel, E. B.; Williams, A. P.; Feibelman, P. J. Phys. Rev. B 1993, 49, 3898. Daw, M. S. Phys. Rev. B 1993, 47, 10899. Drabold, D. A.; Sankey, O. F. Phys. Rev. Lett. 1993, 70, 3631. Kohn, W. Chem. Phys. Lett. 1993, 208, 167. Stewart. J. J. P. Int. J. Quantum Chem. 1996, 58, 133.
- (1996) Int. J. Quantum Chem. , vol.58 , pp. 133
- Stewart, J.J.P.¹

14
- 0003981415
- Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
- Stewart, J. J. P. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1990; Vol. I. Zerner, M. C. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1994; Vol. 5.
- (1990) Reviews in Computational Chemistry , vol.1
- Stewart, J.J.P.¹

15
- 0003981415
- Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
- Stewart, J. J. P. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1990; Vol. I. Zerner, M. C. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1994; Vol. 5.
- (1994) Reviews in Computational Chemistry , vol.5
- Zerner, M.C.¹

16
- 0043144732
- Yang, W.; Lee, T.-S. J. Chem. Phys. 1995, 103, 5674.
- (1995) J. Chem. Phys. , vol.103 , pp. 5674
- Yang, W.¹ Lee, T.-S.²

17
- 0013357779
- Lee, T.-S.; York, D. M.; Yang, W. J. Chem. Phys. 1996, 105, 2744.
- (1996) J. Chem. Phys. , vol.105 , pp. 2744
- Lee, T.-S.¹ York, D.M.² Yang, W.³

18
- 11744256643
- Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027. Cramer, C. J.; Truhlar, D. G. In Reviews in Computational Chemistry, Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1995: Vol. 6.
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

19
- 11744256643
- Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
- Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027. Cramer, C. J.; Truhlar, D. G. In Reviews in Computational Chemistry, Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1995: Vol. 6.
- (1995) Reviews in Computational Chemistry , vol.6
- Cramer, C.J.¹ Truhlar, D.G.²

20
- 84961980743
- Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkin Trans, 1993, 2, 799.
- (1993) J. Chem. Soc., Perkin Trans , vol.2 , pp. 799
- Klamt, A.¹ Schüürmann, G.²

21
- 10544228199
- In press
- York, D. M.; Lee, T.-S.; Yang, W. Chem. Phys. Lett. In press.
- Chem. Phys. Lett.
- York, D.M.¹ Lee, T.-S.² Yang, W.³

22
- 84961976147
- Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995, 103, 9312. Truong, T. N.; Stefanovich, E. V. Chem. Phys. Lett. 1995, 240, 253. Truong, T. N.; Stefanovich, E. V. J. Chem. Phys. 1995, 103, 3709.
- (1995) J. Chem. Phys. , vol.103 , pp. 9312
- Andzelm, J.¹ Kölmel, C.² Klamt, A.³

23
- 84961974166
- Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995, 103, 9312. Truong, T. N.; Stefanovich, E. V. Chem. Phys. Lett. 1995, 240, 253. Truong, T. N.; Stefanovich, E. V. J. Chem. Phys. 1995, 103, 3709.
- (1995) Chem. Phys. Lett. , vol.240 , pp. 253
- Truong, T.N.¹ Stefanovich, E.V.²

24
- 84962376525
- Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995, 103, 9312. Truong, T. N.; Stefanovich, E. V. Chem. Phys. Lett. 1995, 240, 253. Truong, T. N.; Stefanovich, E. V. J. Chem. Phys. 1995, 103, 3709.
- (1995) J. Chem. Phys. , vol.103 , pp. 3709
- Truong, T.N.¹ Stefanovich, E.V.²

25
- 0029066848
- Gilson, M. K. Curr. Opin. Struct. Biol 1995, 5, 216. Honig, B.; Nicholls, A. Science 1995, 268, 1144.
- (1995) Curr. Opin. Struct. Biol , vol.5 , pp. 216
- Gilson, M.K.¹

26
- 0029016182
- Gilson, M. K. Curr. Opin. Struct. Biol 1995, 5, 216. Honig, B.; Nicholls, A. Science 1995, 268, 1144.
- (1995) Science , vol.268 , pp. 1144
- Honig, B.¹ Nicholls, A.²

27
- 3342936878
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1992) Science , vol.256 , pp. 213
- Cramer, C.J.¹ Truhlar, D.G.²

28
- 84961976173
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1992) Chem. Phys. Lett. , vol.198 , pp. 74
- Cramer, C.J.¹ Truhlar, D.G.²

29
- 36449005773
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1994) J. Chem. Phys. , vol.100 , pp. 7487
- Yu, J.¹ Zerner, M.C.²

30
- 0028144858
- A. A.
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1994) Biophys. Chem. , vol.51 , pp. 359
- Rashin, C.J.¹ Young, L.² Topol, I.A.³

31
- 0027932298
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1994) Biophys. Chem. , vol.51 , pp. 375
- Rashin, A.A.¹ Bukatin, M.A.² Andzelm, J.³ Hagler, A.T.⁴

32
- 0000304948
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 11875
- Tannor, D.J.¹ Marten, B.² Murphy, R.³ Friesner, R.A.⁴ Sitkoff, D.⁵ Nicholls, A.⁶ Ringnalda, M.⁷ Goddard III, W.A.⁸ Honig, B.⁹

33
- 33751159055
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213. Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1992, 198, 74. Yu, J.; Zerner, M. C. J. Chem. Phys. 1994, 100, 7487. C. J. Rashin, A. A.; Young, L.; Topol, I. A. Biophys. Chem. 1994, 51, 359. Rashin, A. A.; Bukatin, M. A.; Andzelm, J.; Hagler, A. T. Biophys. Chem. 1994, 51, 375. Tannor, D. J.; Marten, B.; Murphy, R.: Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
- (1994) J. Phys. Chem. , vol.98 , pp. 11059
- Chen, J.L.¹ Noodleman, L.² Case, D.A.³ Bashford, D.⁴

34
- 0027125907
- Gao, J.; Xia, X. Science 1992, 258, 631. Gao, J. Biophys. Chem. 1994, 51, 253. Orozco, M.; Luque, F. J.; Habibollahzadeh, D.; Gao, J. J. Chem. Phys. 1995, 102, 6145. Thompson, M. A.; Schenter, G. K. J. Phys. Chem. 1995, 99, 6374.
- (1992) Science , vol.258 , pp. 631
- Gao, J.¹ Xia, X.²

35
- 0028027361
- Gao, J.; Xia, X. Science 1992, 258, 631. Gao, J. Biophys. Chem. 1994, 51, 253. Orozco, M.; Luque, F. J.; Habibollahzadeh, D.; Gao, J. J. Chem. Phys. 1995, 102, 6145. Thompson, M. A.; Schenter, G. K. J. Phys. Chem. 1995, 99, 6374.
- (1994) Biophys. Chem. , vol.51 , pp. 253
- Gao, J.¹

36
- 84962407457
- Gao, J.; Xia, X. Science 1992, 258, 631. Gao, J. Biophys. Chem. 1994, 51, 253. Orozco, M.; Luque, F. J.; Habibollahzadeh, D.; Gao, J. J. Chem. Phys. 1995, 102, 6145. Thompson, M. A.; Schenter, G. K. J. Phys. Chem. 1995, 99, 6374.
- (1995) J. Chem. Phys. , vol.102 , pp. 6145
- Orozco, M.¹ Luque, F.J.² Habibollahzadeh, D.³ Gao, J.⁴

37
- 0000151568
- Gao, J.; Xia, X. Science 1992, 258, 631. Gao, J. Biophys. Chem. 1994, 51, 253. Orozco, M.; Luque, F. J.; Habibollahzadeh, D.; Gao, J. J. Chem. Phys. 1995, 102, 6145. Thompson, M. A.; Schenter, G. K. J. Phys. Chem. 1995, 99, 6374.
- (1995) J. Phys. Chem. , vol.99 , pp. 6374
- Thompson, M.A.¹ Schenter, G.K.²

38
- 10544240836
- note
- -5 eV/atom.

39
- 0842341771
- Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

40
- 0004279414
- University of California, San Francisco
- Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. E., III; Ferguson, D. M.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER 4.1, University of California, San Francisco, 1995. Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
- (1995) AMBER 4.1
- Pearlman, D.A.¹ Case, D.A.² Caldwell, J.W.³ Ross, W.S.⁴ Cheatham III, T.E.⁵ Ferguson, D.M.⁶ Seibel, G.L.⁷ Singh, U.C.⁸ Weiner, P.K.⁹ Kollman, P.A.¹⁰

41
- 0021757436
- Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. E., III; Ferguson, D. M.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER 4.1, University of California, San Francisco, 1995. Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 765
- Weiner, S.J.¹ Kollman, P.A.² Case, D.A.³ Singh, U.C.⁴ Ghio, C.⁵ Alagona, G.⁶ Profeta Jr., S.⁷ Weiner, P.⁸

42
- 84988053694
- Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. E., III; Ferguson, D. M.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER 4.1, University of California, San Francisco, 1995. Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
- (1986) J. Comput. Chem. , vol.7 , pp. 230
- Weiner, S.J.¹ Kollman, P.A.² Nguyen, D.T.³ Case, D.A.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.