SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 632, Issue 1-3, 2003, Pages 259-275

Quantum refinement - A combination of quantum chemistry and protein crystallography

Author keywords

Combined quantum mechanics and molecular mechanics; Crystallographic refinement; Density functional theory; Metalloproteins; Protonation status

Indexed keywords

ALCOHOL DEHYDROGENASE; CATALASE; CYTOCHROME C; METAL; METALLOPROTEINASE; METHYLMALONYL COENZYME A MUTASE; MYOGLOBIN;

ANALYTIC METHOD; ARTICLE; CRYSTALLOGRAPHY; DENSITY; ELECTRON; PROTEIN ANALYSIS; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTUM MECHANICS;

EID: 0345227309 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(03)00304-X Document Type: Article

Times cited : (47)

References (115)

1
- 0001181339
- P.E.M. Siegbahn, M.R.A. Blomberg, Annu. Rev. Phys. Chem. 50 (1999) 221-249.
- (1999) Annu. Rev. Phys. Chem. , vol.50 , pp. 221-249
- Siegbahn, P.E.M.¹ Blomberg, M.R.A.²

2
- 0001363007
- P.E.M. Siegbahn, M.R.A. Blomberg, Chem. Rev. 100 (2000) 421-437.
- (2000) Chem. Rev. , vol.100 , pp. 421-437
- Siegbahn, P.E.M.¹ Blomberg, M.R.A.²

3
- 0345672468
- E. Sigfridsson, U. Ryde, J. Inorg. Biochem. 91 (2002) 116-124.
- (2002) J. Inorg. Biochem. , vol.91 , pp. 116-124
- Sigfridsson, E.¹ Ryde, U.²

4
- 0017100947
- A. Warshel, M. Levitt, J. Mol. Biol. 103 (1976) 227-249.
- (1976) J. Mol. Biol. , vol.103 , pp. 227-249
- Warshel, A.¹ Levitt, M.²

5
- 84988053595
- U.C. Singh, P.A. Kollman, J. Comput. Chem. 7 (1986) 718-730.
- (1986) J. Comput. Chem. , vol.7 , pp. 718-730
- Singh, U.C.¹ Kollman, P.A.²

6
- 0032711930
- G. Monard, K.M. Merz, Acc. Chem. Res. 32 (1999) 904-911.
- (1999) Acc. Chem. Res. , vol.32 , pp. 904-911
- Monard, G.¹ Merz, K.M.²

7
- 0034314630
- M. Orozco, F.J. Luque, Chem. Rev. 100 (2000) 4187-4225.
- (2000) Chem. Rev. , vol.100 , pp. 4187-4225
- Orozco, M.¹ Luque, F.J.²

8
- 0034619175
- F. Maseras, Chem. Commun. (2000) 1821-1827.
- (2000) Chem. Commun. , pp. 1821-1827
- Maseras, F.¹

9
- 0034979318
- W. Wang, O. Donini, C.M. Reyes, P.A. Kollman, Annu. Rev. Biophys. Biomol. Struct. 30 (2001) 211-243.
- (2001) Annu. Rev. Biophys. Biomol. Struct. , vol.30 , pp. 211-243
- Wang, W.¹ Donini, O.² Reyes, C.M.³ Kollman, P.A.⁴

10
- 0035312820
- V. Gogonea, D. Suárez, A. van der Vaart, K.M. Merz, Curr. Opin. Struct. Biol. 11 (2001) 217-223.
- (2001) Curr. Opin. Struct. Biol. , vol.11 , pp. 217-223
- Gogonea, V.¹ Suárez, D.² Van Der Vaart, A.³ Merz, K.M.⁴

11
- 0035786390
- L.A. Eriksson (Ed.), Elsevier Science, Amsterdam
- A.J. Mulholland, in: L.A. Eriksson (Ed.), Theoretical Biochemistry-Processes and Properties of Biological Systems, Theoretical and Computational Chemistry, vol. 9, Elsevier Science, Amsterdam, 2001, pp. 597-653.
- (2001) Theoretical Biochemistry-Processes and Properties of Biological Systems, Theoretical and Computational Chemistry , vol.9 , pp. 597-653
- Mulholland, A.J.¹

12
- 0036025446
- J. Gao, D.G. Truhlar, Annu. Rev. Phys. Chem. 53 (2002) 467-505.
- (2002) Annu. Rev. Phys. Chem. , vol.53 , pp. 467-505
- Gao, J.¹ Truhlar, D.G.²

13
- 0037079574
- M.J. Field, J. Comput. Chem. 23 (2002) 48-85.
- (2002) J. Comput. Chem. , vol.23 , pp. 48-85
- Field, M.J.¹

14
- 0030124161
- U. Ryde, J. Comput.-Aided Mol. Des. 10 (1996) 153-164.
- (1996) J. Comput.-Aided Mol. Des. , vol.10 , pp. 153-164
- Ryde, U.¹

15
- 0035252132
- U. Ryde, M.H.M. Olsson, Int. J. Quantum Chem. 81 (2001) 335-347.
- (2001) Int. J. Quantum Chem. , vol.81 , pp. 335-347
- Ryde, U.¹ Olsson, M.H.M.²

16
- 0036667496
- U. Ryde, L. Olsen, K. Nilsson, J. Comput. Chem. 23 (2002) 1058-1070.
- (2002) J. Comput. Chem. , vol.23 , pp. 1058-1070
- Ryde, U.¹ Olsen, L.² Nilsson, K.³

17
- 84986513644
- M.J. Field, P.A. Bash, M. Karplus, J. Comput. Chem. 11 (1990) 700.
- (1990) J. Comput. Chem. , vol.11 , pp. 700
- Field, M.J.¹ Bash, P.A.² Karplus, M.³

18
- 0001763714
- N. Reuter, A. Dejaegere, B. Maigret, M. Karplus, J. Phys. Chem. A 104 (2000) 1720-1735.
- (2000) J. Phys. Chem. A , vol.104 , pp. 1720-1735
- Reuter, N.¹ Dejaegere, A.² Maigret, B.³ Karplus, M.⁴

19
- 0035625887
- R.M. Nicoll, S.A. Hindle, G. MacKenzie, I.H. Hillier, N.A. Burton, Theor. Chem. Acc. 106 (2001) 105-112.
- (2001) Theor. Chem. Acc. , vol.106 , pp. 105-112
- Nicoll, R.M.¹ Hindle, S.A.² MacKenzie, G.³ Hillier, I.H.⁴ Burton, N.A.⁵

20
- 31144441067
- M. Svensson, S. Humbel, R.D.J. Froese, T. Matsubara, S. Sieber, K. Morokuma, J. Phys. Chem. 100 (1996) 19357.
- (1996) J. Phys. Chem. , vol.100 , pp. 19357
- Svensson, M.¹ Humbel, S.² Froese, R.D.J.³ Matsubara, T.⁴ Sieber, S.⁵ Morokuma, K.⁶

21
- 84986527758
- F. Maseras, K. Morokuma, J. Comput. Chem. 16 (1995) 1170-1179.
- (1995) J. Comput. Chem. , vol.16 , pp. 1170-1179
- Maseras, F.¹ Morokuma, K.²

22
- 4243402296
- D. Treutler, R. Ahlrichs, J. Chem. Phys. 102 (1995) 346.
- (1995) J. Chem. Phys. , vol.102 , pp. 346
- Treutler, D.¹ Ahlrichs, R.²

23
- 84988074642
- O. Teleman, B. Jönsson, J. Comput. Chem. 7 (1986) 58-66.
- (1986) J. Comput. Chem. , vol.7 , pp. 58-66
- Teleman, O.¹ Jönsson, B.²

24
- 0028815118
- U. Ryde, Proteins, Struct. Funct. Genet. 21 (1995) 40-56.
- (1995) Proteins, Struct. Funct. Genet. , vol.21 , pp. 40-56
- Ryde, U.¹

25
- 0003982649
- University of California, San Francisco
- D.A. Case, D.A. Pearlman, J.W. Caldwell, T.E. Cheatham III, W.S. Ross, C.L. Simmerling, T.A. Darden, K.M. Merz, R.V. Stanton, A.L. Cheng, J.J. Vincent, M. Crowley, D.M. Ferguson, R.J. Radmer, G.L. Seibel, U.C. Singh, P.K. Weiner, P.A. Kollman, AMBER 5, University of California, San Francisco, 1997.
- (1997) AMBER 5
- Case, D.A.¹ Pearlman, D.A.² Caldwell, J.W.³ Cheatham III, T.E.⁴ Ross, W.S.⁵ Simmerling, C.L.⁶ Darden, T.A.⁷ Merz, K.M.⁸ Stanton, R.V.⁹ Cheng, A.L.¹⁰ Vincent, J.J.¹¹ Crowley, M.¹² Ferguson, D.M.¹³ Radmer, R.J.¹⁴ Seibel, G.L.¹⁵ Singh, U.C.¹⁶ Weiner, P.K.¹⁷ Kollman, P.A.¹⁸

26
- 0345357192
- Department of Theoretical Chemistry, Lund university, P.O. Box 124, S-221 00 Lund, Sweden
- K. Andersson, M. Barysz, A. Bernhardsson, M.R.A. Blomberg, D.L. Cooper, M.P. Fülscher, C. de Graaf, B.A. Hess, G. Karlström, R. Lindh, P.-Å. Malmqvist, T. Nakajima, P. Neogrády, J. Olsen, B.O. Roos, B. Schimmelpfenning, M. Schütz, L. Seijo, L. Serrano-Andrés, P.E.M. Siegbahn, J. Stålring, T. Thorsteinsson, V. Veryazov, P.-O. Widmark, MOLCAS version 5.4, Department of Theoretical Chemistry, Lund university, P.O. Box 124, S-221 00 Lund, Sweden, 2002.
- (2002) MOLCAS Version 5.4
- Andersson, K.¹ Barysz, M.² Bernhardsson, A.³ Blomberg, M.R.A.⁴ Cooper, D.L.⁵ Fülscher, M.P.⁶ De Graaf, C.⁷ Hess, B.A.⁸ Karlström, G.⁹ Lindh, R.¹⁰ Malmqvist, P.-Å.¹¹ Nakajima, T.¹² Neogrády, P.¹³ Olsen, J.¹⁴ Roos, B.O.¹⁵ Schimmelpfenning, B.¹⁶ Schütz, M.¹⁷ Seijo, L.¹⁸ Serrano-Andrés, L.¹⁹ Siegbahn, P.E.M.²⁰ more..

27
- 0035127331
- R. Poteau, I. Ortega, F. Alary, A.R. Solis, J.-C. Bathelat, J.-P. Daudey, J. Phys. Chem. A 105 (2001) 198-205.
- (2001) J. Phys. Chem. A , vol.105 , pp. 198-205
- Poteau, R.¹ Ortega, I.² Alary, F.³ Solis, A.R.⁴ Bathelat, J.-C.⁵ Daudey, J.-P.⁶

28
- 85030935803
- submitted
- K. Nilsson, U. Ryde, Nature Struct. Biol., submitted.
- Nature Struct. Biol.
- Nilsson, K.¹ Ryde, U.²

29
- 0023071444
- G. Pettersson, CRC Crit. Rev. Biochem. 21 (1987) 349-389.
- (1987) CRC Crit. Rev. Biochem. , vol.21 , pp. 349-389
- Pettersson, G.¹

30
- 0001631057
- U. Ryde, Int. J. Quantum Chem. 52 (1994) 1229-1243.
- (1994) Int. J. Quantum Chem. , vol.52 , pp. 1229-1243
- Ryde, U.¹

31
- 85163981056
- I. Bertini, C. Luchinat, Metal Ions Biol. Syst. 15 (1983) 101-156.
- (1983) Metal Ions Biol. Syst. , vol.15 , pp. 101-156
- Bertini, I.¹ Luchinat, C.²

32
- 84987110453
- O. Tapia, R. Cardenas, J. Andres, J. Krechl, M. Campillo, F. Colonna-Cesari, Int. J. Quantum Chem. 39 (1991) 767-786.
- (1991) Int. J. Quantum Chem. , vol.39 , pp. 767-786
- Tapia, O.¹ Cardenas, R.² Andres, J.³ Krechl, J.⁴ Campillo, M.⁵ Colonna-Cesari, F.⁶

33
- 0001524110
- A.R. von Onciul, T. Clark, J. Comput. Chem. 14 (1993) 392-400.
- (1993) J. Comput. Chem. , vol.14 , pp. 392-400
- Von Onciul, A.R.¹ Clark, T.²

34
- 0000595820
- M.T. Werth, S.-F. Tang, G. Formicka, M. Zeppezauer, M.K. Johnson, Inorg. Chem. 34 (1995) 218-228.
- (1995) Inorg. Chem. , vol.34 , pp. 218-228
- Werth, M.T.¹ Tang, S.-F.² Formicka, G.³ Zeppezauer, M.⁴ Johnson, M.K.⁵

35
- 0029001655
- L. Hemmingsen, R. Bauer, M.J. Bjerrum, M. Zeppezauer, H.W. Adolph, G. Formicka, E. Cedergren-Zeppezauer, Biochemistry 34 (1995) 7145-7153.
- (1995) Biochemistry , vol.34 , pp. 7145-7153
- Hemmingsen, L.¹ Bauer, R.² Bjerrum, M.J.³ Zeppezauer, M.⁴ Adolph, H.W.⁵ Formicka, G.⁶ Cedergren-Zeppezauer, E.⁷

36
- 0029033663
- U. Ryde, Protein Sci. 4 (1995) 1124-1132.
- (1995) Protein Sci. , vol.4 , pp. 1124-1132
- Ryde, U.¹

37
- 0031046328
- Z.-N. Yang, W.F. Bosron, T.D. Hurley, J. Mol. Biol. 265 (1997) 330-343.
- (1997) J. Mol. Biol. , vol.265 , pp. 330-343
- Yang, Z.-N.¹ Bosron, W.F.² Hurley, T.D.³

38
- 0029919895
- U. Ryde, Eur. J. Biophys. 24 (1996) 213-221.
- (1996) Eur. J. Biophys. , vol.24 , pp. 213-221
- Ryde, U.¹

39
- 0000112383
- L. Hemmingsen, U. Ryde, J. Phys. Chem. 100 (1996) 4803-4809.
- (1996) J. Phys. Chem. , vol.100 , pp. 4803-4809
- Hemmingsen, L.¹ Ryde, U.²

40
- 0030856130
- U. Ryde, L. Hemmingsen, J. Biol. Inorg. Chem. 2 (1997) 567-579.
- (1997) J. Biol. Inorg. Chem. , vol.2 , pp. 567-579
- Ryde, U.¹ Hemmingsen, L.²

41
- 0034734365
- C. Alhambra, J.C. Corchado, M.L. Sánchez, J. Gao, D.G. Truhlar, J. Am. Chem. Soc. 122 (2000) 8197-8203.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 8197-8203
- Alhambra, C.¹ Corchado, J.C.² Sánchez, M.L.³ Gao, J.⁴ Truhlar, D.G.⁵

42
- 0035892157
- C. Alhambra, J.C. Corchado, M.L. Sánchez, J. Gao, D.G. Truhlar, J. Phys. Chem. B 105 (2001) 11326-11340.
- (2001) J. Phys. Chem. B , vol.105 , pp. 11326-11340
- Alhambra, C.¹ Corchado, J.C.² Sánchez, M.L.³ Gao, J.⁴ Truhlar, D.G.⁵

43
- 0037035975
- G. Tresandem, J.P. McNamara, M. Mohr, H. Wang, N.A. Burton, I.H. Hillier, Chem. Phys. Lett. 258 (2002) 489-494.
- (2002) Chem. Phys. Lett. , vol.258 , pp. 489-494
- Tresandem, G.¹ McNamara, J.P.² Mohr, M.³ Wang, H.⁴ Burton, N.A.⁵ Hillier, I.H.⁶

44
- 0037076062
- Q. Cui, M. Elstner, M. Karplus, J. Phys. Chem. B 106 (2002) 2721-2740.
- (2002) J. Phys. Chem. B , vol.106 , pp. 2721-2740
- Cui, Q.¹ Elstner, M.² Karplus, M.³

45
- 0027998885
- B.G. Malmström, Eur. J. Biochem. 223 (1994) 711-718.
- (1994) Eur. J. Biochem. , vol.223 , pp. 711-718
- Malmström, B.G.¹

46
- 0028822917
- R.J.P. Williams, Eur. J. Biochem. 224 (1995) 363-381.
- (1995) Eur. J. Biochem. , vol.224 , pp. 363-381
- Williams, R.J.P.¹

47
- 0030606884
- U. Ryde, M.H.M. Olsson, K. Pierloot, B.O. Roos, J. Mol. Biol. 261 (1996) 586-596.
- (1996) J. Mol. Biol. , vol.261 , pp. 586-596
- Ryde, U.¹ Olsson, M.H.M.² Pierloot, K.³ Roos, B.O.⁴

48
- 0033788007
- U. Ryde, M.H.M. Olsson, B.O. Roos, K. Pierloot, J.O.A. De Kerpel, J. Biol. Inorg. Chem. 5 (2000) 565-574.
- (2000) J. Biol. Inorg. Chem. , vol.5 , pp. 565-574
- Ryde, U.¹ Olsson, M.H.M.² Roos, B.O.³ Pierloot, K.⁴ De Kerpel, J.O.A.⁵

49
- 33845280170
- A.A. Gewirth, E.I. Solomon, J. Am. Chem. Soc. 110 (1988) 3811-3819.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 3811-3819
- Gewirth, A.A.¹ Solomon, E.I.²

50
- 0029274711
- J.A. Guckert, M.D. Lowery, E.I. Solomon, J. Am. Chem. Soc. 117 (1995) 2817-2844.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 2817-2844
- Guckert, J.A.¹ Lowery, M.D.² Solomon, E.I.³

51
- 0029794252
- L.B. LaCroix, S.E. Shadle, Y. Wang, B.A. Averill, B. Hedman, K.O. Hodgson, E.I. Solomon, J. Am. Chem. Soc. 118 (1995) 7755-7768.
- (1995) J. Am. Chem. Soc. , vol.118 , pp. 7755-7768
- LaCroix, L.B.¹ Shadle, S.E.² Wang, Y.³ Averill, B.A.⁴ Hedman, B.⁵ Hodgson, K.O.⁶ Solomon, E.I.⁷

52
- 0032560925
- L.B. LaCroix, D.W. Randall, A.M. Nersissian, C.W.G. Hoitink, G.W. Canters, J.S. Valentine, E.I. Solomon, J. Am. Chem. Soc. 120 (1998) 9621-9631.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 9621-9631
- LaCroix, L.B.¹ Randall, D.W.² Nersissian, A.M.³ Hoitink, C.W.G.⁴ Canters, G.W.⁵ Valentine, J.S.⁶ Solomon, E.I.⁷

53
- 0033994577
- D.W. Randall, D.R. Gamelin, L.B. LaCroix, E.I. Solomon, J. Biol. Inorg. Chem. 5 (2000) 16-29.
- (2000) J. Biol. Inorg. Chem. , vol.5 , pp. 16-29
- Randall, D.W.¹ Gamelin, D.R.² LaCroix, L.B.³ Solomon, E.I.⁴

54
- 0000140532
- S. Larsson, A. Broo, L. Sjölin, J. Phys. Chem. 99 (1995) 4860-4865.
- (1995) J. Phys. Chem. , vol.99 , pp. 4860-4865
- Larsson, S.¹ Broo, A.² Sjölin, L.³

55
- 0033785364
- S. Larsson, J. Biol. Inorg. Chem. 5 (2000) 560-564.
- (2000) J. Biol. Inorg. Chem. , vol.5 , pp. 560-564
- Larsson, S.¹

56
- 0032561819
- K. Pierloot, J.O.A. De Kerpel, U. Ryde, M.H.M. Olsson, B.O. Roos, J. Am. Chem. Soc. 120 (1998) 13156-13166.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 13156-13166
- Pierloot, K.¹ De Kerpel, J.O.A.² Ryde, U.³ Olsson, M.H.M.⁴ Roos, B.O.⁵

57
- 0032758351
- M.H.M. Olsson, U. Ryde, J. Biol. Inorg. Chem. 4 (1999) 654-663.
- (1999) J. Biol. Inorg. Chem. , vol.4 , pp. 654-663
- Olsson, M.H.M.¹ Ryde, U.²

58
- 0031700045
- M.H.M. Olsson, U. Ryde, B.O. Roos, Protein Sci. 7 (1998) 2659-2668.
- (1998) Protein Sci. , vol.7 , pp. 2659-2668
- Olsson, M.H.M.¹ Ryde, U.² Roos, B.O.³

59
- 0035851573
- P. Comba, A. Lledós, F. Maseras, R. Remenyi, Inorg. Chim. Acta 324 (2001) 21-26.
- (2001) Inorg. Chim. Acta , vol.324 , pp. 21-26
- Comba, P.¹ Lledós, A.² Maseras, F.³ Remenyi, R.⁴

60
- 85030943959
- to be published, described in M. Swart, PhD Thesis, Rijksuniversitä t Groningen
- M. Swart, M. van den Bosch, H.J.C. Berendsen, G.W. Canters, J.G. Snijders, to be published, described in M. Swart, PhD Thesis, Rijksuniversität Groningen, 2002
- (2002)
- Swart, M.¹ Van Den Bosch, M.² Berendsen, H.J.C.³ Canters, G.W.⁴ Snijders, J.G.⁵

61
- 0035859440
- E. Sigfridsson, M.H.M. Olsson, U. Ryde, J. Phys. Chem. B 105 (2001) 5546-5552.
- (2001) J. Phys. Chem. B , vol.105 , pp. 5546-5552
- Sigfridsson, E.¹ Olsson, M.H.M.² Ryde, U.³

62
- 0035926249
- E. Sigfridsson, M.H.M. Olsson, U. Ryde, Inorg. Chem. 40 (2001) 2509-2519.
- (2001) Inorg. Chem. , vol.40 , pp. 2509-2519
- Sigfridsson, E.¹ Olsson, M.H.M.² Ryde, U.³

63
- 0004155427
- Freeman, New York
- L. Stryer, Biochemistry, third ed., Freeman, New York, 1988, p. 149.
- (1988) Biochemistry, Third Ed. , pp. 149
- Stryer, L.¹

64
- 0030773396
- J.S. Olson, G.N. Philips, J. Biol. Inorg. Chem. 2 (1997) 544-552.
- (1997) J. Biol. Inorg. Chem. , vol.2 , pp. 544-552
- Olson, J.S.¹ Philips, G.N.²

65
- 0032957265
- E. Sigfridsson, U. Ryde, J. Biol. Inorg. Chem. 4 (1999) 99-110.
- (1999) J. Biol. Inorg. Chem. , vol.4 , pp. 99-110
- Sigfridsson, E.¹ Ryde, U.²

66
- 0033574735
- G.S. Kachalova, A.N. Popov, H.D. Bartunik, Science 284 (1999) 473-476.
- (1999) Science , vol.284 , pp. 473-476
- Kachalova, G.S.¹ Popov, A.N.² Bartunik, H.D.³

67
- 0031276121
- C. Rovira, K. Kunc, J. Hutter, P. Ballone, M. Parrinello, J. Phys. Chem. A 101 (1997) 8914-8925.
- (1997) J. Phys. Chem. A , vol.101 , pp. 8914-8925
- Rovira, C.¹ Kunc, K.² Hutter, J.³ Ballone, P.⁴ Parrinello, M.⁵

68
- 0035110522
- T.G. Spiro, P.M. Kozlowski, Acc. Chem. Res. 34 (2001) 137-144.
- (2001) Acc. Chem. Res. , vol.34 , pp. 137-144
- Spiro, T.G.¹ Kozlowski, P.M.²

69
- 0034951055
- C. Rovira, B. Schulze, M. Eichinger, J.D. Evanseck, M. Parrinello, Biophys. J. 81 (2001) 435-445.
- (2001) Biophys. J. , vol.81 , pp. 435-445
- Rovira, C.¹ Schulze, B.² Eichinger, M.³ Evanseck, J.D.⁴ Parrinello, M.⁵

70
- 0037329044
- E. Sigfridsson, U. Ryde, J. Biol. Inorg. Chem. 8 (2003) 273-282.
- (2003) J. Biol. Inorg. Chem. , vol.8 , pp. 273-282
- Sigfridsson, E.¹ Ryde, U.²

71
- 0025170858
- A.G. Cochran, P.G. Schultz, Science 249 (1990) 781-783.
- (1990) Science , vol.249 , pp. 781-783
- Cochran, A.G.¹ Schultz, P.G.²

72
- 0034677673
- D. Lecerof, M. Fodje, A. Hansson, M. Hansson, S. AlKaradaghi, J. Mol. Biol. 297 (2000) 221-232.
- (2000) J. Mol. Biol. , vol.297 , pp. 221-232
- Lecerof, D.¹ Fodje, M.² Hansson, A.³ Hansson, M.⁴ AlKaradaghi, S.⁵

73
- 85030946923
- to be submitted
- T. Rasmussen, K. Nilsson, U. Ryde, J. Phys. Chem. B, to be submitted.
- J. Phys. Chem. B
- Rasmussen, T.¹ Nilsson, K.² Ryde, U.³

74
- 0344377925
- Y.-J. Zheng, T.C. Bruice, J. Am. Chem. Soc. 122 (2000) 8137-8145.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 8137-8145
- Zheng, Y.-J.¹ Bruice, T.C.²

75
- 0034639461
- K. Kahn, T.C. Bruice, J. Am. Chem. Soc. 122 (2000) 46-51.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 46-51
- Kahn, K.¹ Bruice, T.C.²

76
- 0034701258
- B. Kuhn, P.A. Kollman, J. Am. Chem. Soc. 122 (2000) 2586-2596.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2586-2596
- Kuhn, B.¹ Kollman, P.A.²

77
- 0033106268
- D.W.J. Cruickshank, Acta Crystallogr. D55 (1999) 583-601.
- (1999) Acta Crystallogr. , vol.D55 , pp. 583-601
- Cruickshank, D.W.J.¹

78
- 0027995833
- B.A. Fields, H.H. Bartsch, H.D. Bartunik, F. Cordes, J.M. Guss, H.C. Freeman, Acta Crystallogr. D50 (1994) 709-730.
- (1994) Acta Crystallogr. , vol.D50 , pp. 709-730
- Fields, B.A.¹ Bartsch, H.H.² Bartunik, H.D.³ Cordes, F.⁴ Guss, J.M.⁵ Freeman, H.C.⁶

79
- 0242432554
- K. Nilsson, D. Lecerof, E. Sigfridsson, U. Ryde, Acta Crystallogr. D59 (2003) 274-289.
- (2003) Acta Crystallogr. , vol.D59 , pp. 274-289
- Nilsson, K.¹ Lecerof, D.² Sigfridsson, E.³ Ryde, U.⁴

80
- 0030845843
- G.J. Kleywegt, T.A. Jones, Meth. Enzymol. 227 (1997) 208-230.
- (1997) Meth. Enzymol. , vol.227 , pp. 208-230
- Kleywegt, G.J.¹ Jones, T.A.²

81
- 0000649842
- N.S. Pannu, R.J. Read, Acta Crystallogr. A52 (1996) 659-668.
- (1996) Acta Crystallogr. , vol.A52 , pp. 659-668
- Pannu, N.S.¹ Read, R.J.²

82
- 0030986177
- P.D. Adams, N.S. Pannu, R.J. Read, A.T. Brünger, Proc. Natl Acad. Sci. US 94 (1997) 5018-5023.
- (1997) Proc. Natl. Acad. Sci. US , vol.94 , pp. 5018-5023
- Adams, P.D.¹ Pannu, N.S.² Read, R.J.³ Brünger, A.T.⁴

83
- 79952608525
- R.A. Engh, R. Huber, Acta Crystallogr. A47 (1991) 392-400.
- (1991) Acta Crystallogr. , vol.A47 , pp. 392-400
- Engh, R.A.¹ Huber, R.²

84
- 0032215320
- G.J. Kleywegt, T.A. Jones, Acta Crystallogr. D54 (1998) 1119-1131.
- (1998) Acta Crystallogr. , vol.D54 , pp. 1119-1131
- Kleywegt, G.J.¹ Jones, T.A.²

85
- 0003834618
- Yale University
- A.T. Brunger, P.D. Adams, G.M. Clore, W.L. Delano, P. Gros, R.W. Grosse-Kunstleve, J.-S. Jiang, J.I. Kuszewsk, M. Nilges, N.S. Pannu, R.J. Read, L.M. Rice, T. Simonson, G.L. Warren, Crystallography and NMR System CNS, Version 1.0, Yale University, 2000.
- (2000) Crystallography and NMR System CNS, Version 1.0
- Brunger, A.T.¹ Adams, P.D.² Clore, G.M.³ Delano, W.L.⁴ Gros, P.⁵ Grosse-Kunstleve, R.W.⁶ Jiang, J.-S.⁷ Kuszewsk, J.I.⁸ Nilges, M.⁹ Pannu, N.S.¹⁰ Read, R.J.¹¹ Rice, L.M.¹² Simonson, T.¹³ Warren, G.L.¹⁴

86
- 0001897686
- A.T. Brünger, Acta Crystallogr. D49 (1993) 24-36.
- (1993) Acta Crystallogr. , vol.D49 , pp. 24-36
- Brünger, A.T.¹

87
- 0029644940
- G.J. Kleywegt, T.A. Jones, Structure 3 (1995) 535-540.
- (1995) Structure , vol.3 , pp. 535-540
- Kleywegt, G.J.¹ Jones, T.A.²

88
- 84918314491
- A. Jack, M. Levitt, Acta Crystallogr. A34 (1978) 931.
- (1978) Acta Crystallogr. , vol.A34 , pp. 931
- Jack, A.¹ Levitt, M.²

89
- 0002208132
- A.T. Brünger, M. Karplus, G.A. Petsko, Acta Crystallogr. A45 (1989) 50.
- (1989) Acta Crystallogr. , vol.A45 , pp. 50
- Brünger, A.T.¹ Karplus, M.² Petsko, G.A.³

90
- 0030864522
- A.T. Brünger, Meth. Enzymol. 277 (1997) 243-269.
- (1997) Meth. Enzymol. , vol.277 , pp. 243-269
- Brünger, A.T.¹

91
- 25544431840
- S.J. Titmuss, P.L. Cummins, A.A. Bliznyuk, A.P. Rendell, J.E. Gready, Chem. Phys. Lett. (2000) 320169-320176.
- (2000) Chem. Phys. Lett. , pp. 320169-320176
- Titmuss, S.J.¹ Cummins, P.L.² Bliznyuk, A.A.³ Rendell, A.P.⁴ Gready, J.E.⁵

92
- 0002760331
- Research Signpost, Trivandrum
- U. Ryde, Recent Research Developments in Protein Engineering, vol. 2, Research Signpost, Trivandrum, 2002, pp. 65-91.
- (2002) Recent Research Developments in Protein Engineering , vol.2 , pp. 65-91
- Ryde, U.¹

93
- 0037116512
- M. Torren, T. Vreven, D.G. Musaev, K. Morokuma, J. Am. Chem. Soc. 124 (2001) 192-193.
- (2001) J. Am. Chem. Soc. , vol.124 , pp. 192-193
- Torren, M.¹ Vreven, T.² Musaev, D.G.³ Morokuma, K.⁴

94
- 0032112610
- J. Boström, P.-O. Norrby, T.J. Liljefors, Comput.-Aided Mol. Des. 12 (1998) 383-396.
- (1998) Comput.-Aided Mol. Des. , vol.12 , pp. 383-396
- Boström, J.¹ Norrby, P.-O.² Liljefors, T.J.³

95
- 0034802488
- M.H.M. Olsson, U. Ryde, J. Am. Chem. Soc. 123 (2001) 7866-7876.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 7866-7876
- Olsson, M.H.M.¹ Ryde, U.²

96
- 0003926839
- Wiley, Chichester
- F. Jensen, Introduction to Computational Chemistry, Wiley, Chichester, 1999.
- (1999) Introduction to Computational Chemistry
- Jensen, F.¹

97
- 0033787581
- S. Benini, A. González, W.R. Rypniewski, K.S. Wilson, J.J. Van Beeumen, S. Ciurli, Biochemistry 39 (2000) 13115-13126.
- (2000) Biochemistry , vol.39 , pp. 13115-13126
- Benini, S.¹ González, A.² Rypniewski, W.R.³ Wilson, K.S.⁴ Van Beeumen, J.J.⁵ Ciurli, S.⁶

98
- 85030949317
- to be submitted
- U. Ryde, K. Nilsson, J. Am. Chem. Soc., to be submitted
- J. Am. Chem. Soc.
- Ryde, U.¹ Nilsson, K.²

99
- 0001591264
- I.A. Topol, S.K. Burt, A.A. Rashin, J.W. Erickson, J. Phys. Chem. A 104 (2000) 866-872.
- (2000) J. Phys. Chem. A , vol.104 , pp. 866-872
- Topol, I.A.¹ Burt, S.K.² Rashin, A.A.³ Erickson, J.W.⁴

100
- 0036933444
- G.M. Ullman, L. Noodlemann, D.A. Case, J. Biol. Inorg. Chem. 7 (2002) 632-639.
- (2002) J. Biol. Inorg. Chem. , vol.7 , pp. 632-639
- Ullman, G.M.¹ Noodlemann, L.² Case, D.A.³

101
- 0030722317
- B.J. Bahnson, T.D. Colby, J.K. Chin, B.M. Goldstein, J.P. Klinman, Proc. Natl Acad. Sci. USA 94 (1997) 12797-12802.
- (1997) Proc. Natl. Acad. Sci. USA , vol.94 , pp. 12797-12802
- Bahnson, B.J.¹ Colby, T.D.² Chin, J.K.³ Goldstein, B.M.⁴ Klinman, J.P.⁵

102
- 0035940450
- J.K. Rubach, S. Ramaswamy, B.V. Plapp, Biochemistry 40 (2001) 12686-12694.
- (2001) Biochemistry , vol.40 , pp. 12686-12694
- Rubach, J.K.¹ Ramaswamy, S.² Plapp, B.V.³

103
- 85030945270
- to be submitted
- K. Nilsson, U. Ryde, H.-P. Hersleth, K.K. Andersson, J. Biol. Inorg. Chem., to be submitted.
- J. Biol. Inorg. Chem.
- Nilsson, K.¹ Ryde, U.² Hersleth, H.-P.³ Andersson, K.K.⁴

104
- 0034846069
- M.J. Maroney, P.A. Bryngelson, J. Biol. Inorg. Chem. 6 (2001) 453-459.
- (2001) J. Biol. Inorg. Chem. , vol.6 , pp. 453-459
- Maroney, M.J.¹ Bryngelson, P.A.²

105
- 0034852794
- P.E.M. Siegbahn, M.R.A. Blomberg, M. Wirstam, R.H. Crabtree, J. Biol. Inorg. Chem. 6 (2001) 460-466.
- (2001) J. Biol. Inorg. Chem. , vol.6 , pp. 460-466
- Siegbahn, P.E.M.¹ Blomberg, M.R.A.² Wirstam, M.³ Crabtree, R.H.⁴

106
- 0034851266
- H.-J. Fan, M.B. Hall, J. Biol. Inorg. Chem. 6 (2001) 467-473.
- (2001) J. Biol. Inorg. Chem. , vol.6 , pp. 467-473
- Fan, H.-J.¹ Hall, M.B.²

107
- 0036525727
- M. Stein, W. Lubitz, Curr. Opin. Chem. Biol. 6 (2002) 243-249.
- (2002) Curr. Opin. Chem. Biol. , vol.6 , pp. 243-249
- Stein, M.¹ Lubitz, W.²

108
- 0345672462
- M.B. Hall, Z.X. Cao, H.-J. Fan, S.H. Li, S.Q. Niu, L. Thomson, J. Inorg. Biochem. 86 (2001) 245-245.
- (2001) J. Inorg. Biochem. , vol.86 , pp. 245-245
- Hall, M.B.¹ Cao, Z.X.² Fan, H.-J.³ Li, S.H.⁴ Niu, S.Q.⁵ Thomson, L.⁶

109
- 0038853525
- J. Vojtechovskú, K. Chu, J. Berendzen, R.M. Sweet, I. Schlichting, Biophys. J. 77 (1999) 2153-2174.
- (1999) Biophys. J. , vol.77 , pp. 2153-2174
- Vojtechovskú, J.¹ Chu, K.² Berendzen, J.³ Sweet, R.M.⁴ Schlichting, I.⁵

110
- 0000339640
- G. Fogarasi, X. Zhou, P.W. Taylor, P. Pulay, J. Am. Chem. Soc. 114 (1992) 8191-8201.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 8191-8201
- Fogarasi, G.¹ Zhou, X.² Taylor, P.W.³ Pulay, P.⁴

111
- 0033611947
- R. Salzmann, M.T. McMahon, N. Godbout, L.K. Sanders, M. Wojdelski, E. Oldfield, J. Am. Chem. Soc. 121 (1999) 3818-3828.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 3818-3828
- Salzmann, R.¹ McMahon, M.T.² Godbout, N.³ Sanders, L.K.⁴ Wojdelski, M.⁵ Oldfield, E.⁶

112
- 0033594923
- F. Mancia, G.A. Smith, P.R. Evans, Biochemistry 38 (1999) 7999-8005.
- (1999) Biochemistry , vol.38 , pp. 7999-8005
- Mancia, F.¹ Smith, G.A.² Evans, P.R.³

113
- 85030952345
- manuscript in preparation
- K.P. Jensen, U. Ryde, manuscript in preparation.
- Jensen, K.P.¹ Ryde, U.²

114
- 0037304303
- U. Ryde, Curr. Opin. Chem. Biol. 7 (2003) 136-142.
- (2003) Curr. Opin. Chem. Biol. , vol.7 , pp. 136-142
- Ryde, U.¹

115
- 0001881516
- J.M. Seminario, Int. J. Quantum Chem., Quantum Chem. Symp. 30 (1996) 59-65.
- (1996) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.30 , pp. 59-65
- Seminario, J.M.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.