-
4
-
-
0027506191
-
-
(d) Mulholland, A.; Grant, G. H.; Richards, W. G. Protein Eng. 1993, 6, 133.
-
(1993)
Protein Eng.
, vol.6
, pp. 133
-
-
Mulholland, A.1
Grant, G.H.2
Richards, W.G.3
-
8
-
-
84962421477
-
-
(d) Field, M. J.; Bash, P. A.; Karplus, M. A. J. Comput. Chem. 1990, 11, 710.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 710
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.A.3
-
12
-
-
33751159055
-
-
(a) 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
-
13
-
-
84962440579
-
-
(b) Richardson, W. H.; Peng, C.; Bashford, D.; Noodleman, L.; Case, D. A. Int. J. Quantum Chem. 1997, 61, 207.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 207
-
-
Richardson, W.H.1
Peng, C.2
Bashford, D.3
Noodleman, L.4
Case, D.A.5
-
14
-
-
0000318315
-
-
(a) Mouesca, J.-M.; Chen, J. L.; Noodleman, L.; Bashford, D.; Case, D. A. J. Am. Chem. Soc. 1994, 116, 11898.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11898
-
-
Mouesca, J.-M.1
Chen, J.L.2
Noodleman, L.3
Bashford, D.4
Case, D.A.5
-
15
-
-
0001272489
-
-
(b) Fisher, C. L.; Chen, J. L.; Li, J.; Bashford, D.; Noodleman, L. J. Phys. Chem. 1996, 100, 13498.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 13498
-
-
Fisher, C.L.1
Chen, J.L.2
Li, J.3
Bashford, D.4
Noodleman, L.5
-
16
-
-
84962463451
-
-
(c) Li, J.; Fisher, C. L.; Chen, J. L.; Bashford, D.; Noodleman, L. Inorg. Chem. 1996, 35, 4694.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 4694
-
-
Li, J.1
Fisher, C.L.2
Chen, J.L.3
Bashford, D.4
Noodleman, L.5
-
17
-
-
0005611572
-
-
Solomon, E. I.; Hodgson, K. O., Eds.; American Chemical Society, Washington, DC
-
(d) Li, J.; Noodleman, L. in Spectroscopic Methods in Bioinorganic Chemistry, Solomon, E. I.; Hodgson, K. O., Eds.; American Chemical Society, Washington, DC, 1998.
-
(1998)
Spectroscopic Methods in Bioinorganic Chemistry
-
-
Li, J.1
Noodleman, L.2
-
19
-
-
84986467058
-
-
(b) Liotard, D. A.; Hawkins, G. D.; Lynch, G. C.; Cramer, C. J.; Truhlar, D. G. J. Comput. Chem. 1995, 16, 422.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 422
-
-
Liotard, D.A.1
Hawkins, G.D.2
Lynch, G.C.3
Cramer, C.J.4
Truhlar, D.G.5
-
21
-
-
84986437213
-
-
(d) Furuki, T.; Sakurai, M.; Inoue, Y. J. Comput. Chem. 1995, 16, 378.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 378
-
-
Furuki, T.1
Sakurai, M.2
Inoue, Y.3
-
24
-
-
0542382495
-
-
(g) Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Am. Chem. Soc. 1991, 113, 4776.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4776
-
-
Wong, M.W.1
Frisch, M.J.2
Wiberg, K.B.3
-
25
-
-
0001622409
-
-
(h) Marcos, E. S.; Pappalardo, R. R.; Rinaldi, D. J. Phys. Chem. 1991, 95, 8928.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 8928
-
-
Marcos, E.S.1
Pappalardo, R.R.2
Rinaldi, D.3
-
26
-
-
0000304948
-
-
(i) Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringbalda, M.; Goddard, W. A., III; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875.
-
(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
Ringbalda, M.7
Goddard III, W.A.8
Honig, B.9
-
29
-
-
84962469667
-
-
(l) Ruiz-Lopez, M. F.; Bohr, F.; Martins-Costa, M. T. C.; Rinaldi, D. Chem. Phys. Lett. 1994, 221, 109.
-
(1994)
Chem. Phys. Lett.
, vol.221
, pp. 109
-
-
Ruiz-Lopez, M.F.1
Bohr, F.2
Martins-Costa, M.T.C.3
Rinaldi, D.4
-
32
-
-
84986505839
-
-
(o) Baldridge, K.; Fine, R.; Hagler, A. J. Comput. Chem. 1994, 15, 1217.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 1217
-
-
Baldridge, K.1
Fine, R.2
Hagler, A.3
-
33
-
-
0042045856
-
-
(p) Hall, R. J.; Davidson, M. M.; Burton, N. A.; Hillier, I. H. J. Phys. Chem. 1995, 99, 921.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 921
-
-
Hall, R.J.1
Davidson, M.M.2
Burton, N.A.3
Hillier, I.H.4
-
36
-
-
33751500123
-
-
(c) Lim, C.; Bashford, D.; Karplus, M. J. Phys. Chem. 1991, 95, 5610.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5610
-
-
Lim, C.1
Bashford, D.2
Karplus, M.3
-
37
-
-
0027219184
-
-
(d) Bashford, D.; Case, D. A.; Dalvit, C.; Tennant, L.; Wright, P. E. Biochemistry 1993, 32, 8045.
-
(1993)
Biochemistry
, vol.32
, pp. 8045
-
-
Bashford, D.1
Case, D.A.2
Dalvit, C.3
Tennant, L.4
Wright, P.E.5
-
39
-
-
0004120302
-
-
King, R. B., Ed.; John Wiley: New York, and references within
-
(b) Johnson, M. K. in Encyclopedia of Inorganic Chemistry; King, R. B., Ed.; John Wiley: New York, 1994; and references within.
-
(1994)
Encyclopedia of Inorganic Chemistry
-
-
Johnson, M.K.1
-
40
-
-
0027365610
-
-
Correll, C. C.; Ludwig, M. L.; Bruns, C. M.; Karplus, P. A. Protein Sci. 1993, 2, 2112.
-
(1993)
Protein Sci.
, vol.2
, pp. 2112
-
-
Correll, C.C.1
Ludwig, M.L.2
Bruns, C.M.3
Karplus, P.A.4
-
42
-
-
0038023343
-
-
(a) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
-
(1973)
Chem. Phys.
, vol.2
, pp. 41
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
43
-
-
0004124784
-
-
te Riele, H. J. J., Dekker: Th. J., van de Vorst, H. A., Eds.; Elsevier: Amsterdam
-
(b) Ravenek, W. in Algorithms and Applications on Vector and Parallel Computes; te Riele, H. J. J., Dekker: Th. J., van de Vorst, H. A., Eds.; Elsevier: Amsterdam, 1987.
-
(1987)
Algorithms and Applications on Vector and Parallel Computes
-
-
Ravenek, W.1
-
44
-
-
84962415803
-
-
Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
46
-
-
5944261746
-
-
Erratum, ibid. 1986, 34, 7406
-
Perdew, J. P. Phys. Rev. B 1986, 33, 8822. Erratum, ibid. 1986, 34, 7406.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
47
-
-
84990642429
-
-
(a) Boerrigter, P. M.; te Velde, G.; Baerends, E. J. Int. J. Quantum Chem. 1988, 33, 87.
-
(1988)
Int. J. Quantum Chem.
, vol.33
, pp. 87
-
-
Boerrigter, P.M.1
Te Velde, G.2
Baerends, E.J.3
-
49
-
-
49049148107
-
-
(a) Snijders, J. G.; Baerends, E. J.; Vernooijs, P. At. Nucl. Data Tables 1982, 26, 483.
-
(1982)
At. Nucl. Data Tables
, vol.26
, pp. 483
-
-
Snijders, J.G.1
Baerends, E.J.2
Vernooijs, P.3
-
51
-
-
0003990093
-
-
Internal report (in Dutch); Free University of Amsterdam, The Netherlands
-
(c) Krijn, J.; Baerends, E. J. Fit Functions in the HFS-method; Internal report (in Dutch); Free University of Amsterdam, The Netherlands, 1984.
-
(1984)
Fit Functions in the HFS-method
-
-
Krijn, J.1
Baerends, E.J.2
-
54
-
-
84962388093
-
-
Ab initio Methods in Quantum Chemistry I; Lawley, K. P., Ed; Wiley: New York
-
(a) Schlegel, H. B. In Ab initio Methods in Quantum Chemistry I; Lawley, K. P., Ed; Advances in Chemistry and Physics, Vol. 67; Wiley: New York, 1987.
-
(1987)
Advances in Chemistry and Physics
, vol.67
-
-
Schlegel, H.B.1
-
56
-
-
0344178884
-
-
(a) Ziegler, T.; Tschinke, V.; Baerends, E. J.; Snijders, J. G.; Ravenek, W. J. Phys. Chem. 1989, 93, 3050.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 3050
-
-
Ziegler, T.1
Tschinke, V.2
Baerends, E.J.3
Snijders, J.G.4
Ravenek, W.5
-
58
-
-
30244483094
-
-
(c) Snijders, J. G.; Baerends, E. J.; Ros, P. Mol. Phys. 1979, 38, 1909.
-
(1979)
Mol. Phys.
, vol.38
, pp. 1909
-
-
Snijders, J.G.1
Baerends, E.J.2
Ros, P.3
-
60
-
-
0003474751
-
-
Cambridge University Press: Cambridge, England
-
(a) Press, W. H.; Flanery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes, The Art of Scentific Computing; Cambridge University Press: Cambridge, England, 1986.
-
(1986)
Numerical Recipes, The Art of Scentific Computing
-
-
Press, W.H.1
Flanery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
-
61
-
-
0343380162
-
-
(b) Francl, M. M.; Carey, C.; Chirlian, L. M.; Gange, D. M. J. Comput. Chem. 1996, 17, 367.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 367
-
-
Francl, M.M.1
Carey, C.2
Chirlian, L.M.3
Gange, D.M.4
-
67
-
-
0001008706
-
-
(f) Smith, P. E.; Brunne, R. M.; Mark, A. E.; van Gunsteren, F. J. Phys. Chem. 1993, 97, 2009.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 2009
-
-
Smith, P.E.1
Brunne, R.M.2
Mark, A.E.3
Van Gunsteren, F.4
-
68
-
-
0029030398
-
-
(g) Beroza, P.; Fredkin, D. R.; Okamura, M. Y.; Feher, G. Biophys. J. 1995, 68, 2233.
-
(1995)
Biophys. J.
, vol.68
, pp. 2233
-
-
Beroza, P.1
Fredkin, D.R.2
Okamura, M.Y.3
Feher, G.4
-
74
-
-
32844457567
-
-
Sitkoff, D.; Sharp, K. A.; Honig, B. J. Phys. Chem. 1994, 98, 1978.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1978
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
75
-
-
0025907697
-
-
Rypniewski, W. R.; Breiter, D. R.; Benning, M. M.; Wesenberg, G.; Oh, B.-H.; Markley, J. L.; Rayment, I.; Holden, H. M. Biochemistry 1991, 30, 4126.
-
(1991)
Biochemistry
, vol.30
, pp. 4126
-
-
Rypniewski, W.R.1
Breiter, D.R.2
Benning, M.M.3
Wesenberg, G.4
Oh, B.-H.5
Markley, J.L.6
Rayment, I.7
Holden, H.M.8
-
76
-
-
0027093793
-
-
Correll, C. C.; Batie, C. J.; Ballou, D. P.; Ludwig, M. Science 1992, 258, 1604.
-
(1992)
Science
, vol.258
, pp. 1604
-
-
Correll, C.C.1
Batie, C.J.2
Ballou, D.P.3
Ludwig, M.4
-
77
-
-
0000291936
-
-
(a) Mayerle, J. J.; Denmark, S. E.; De Pamphilis, B. V.; Ibers, J. A.; Holm, R. H. J. Am. Chem. Soc. 1975, 97, 1032.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 1032
-
-
Mayerle, J.J.1
Denmark, S.E.2
De Pamphilis, B.V.3
Ibers, J.A.4
Holm, R.H.5
-
79
-
-
0004120302
-
-
King, R. B.
-
(c) Nakamura, A.; Ueyama, N. In Encyclopedia of Inorganic Chemistry; King, R. B., Ed.; John Wiley: New York, 1994.
-
(1994)
Encyclopedia of Inorganic Chemistry
-
-
Nakamura, A.1
Ueyama, N.2
Wiley, E.J.3
York, N.4
-
80
-
-
0000231445
-
-
(a) Norman, J. G. Jr.; Ryan, P. B.; Noodleman, L. J. Am. Chem. Soc. 1980, 102, 4279.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 4279
-
-
Norman Jr., J.G.1
Ryan, P.B.2
Noodleman, L.3
-
82
-
-
0029105580
-
-
(a) Bertrand, P.; More, C.; Camensuli, P. J. Am. Chem. Soc. 1995, 117, 1807.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1807
-
-
Bertrand, P.1
More, C.2
Camensuli, P.3
-
83
-
-
0025234580
-
-
(b) Dugad, L. B.; La Mar, G. N.; Banci, L.; Bertini, I. Biochemistry 1990, 29, 2263.
-
(1990)
Biochemistry
, vol.29
, pp. 2263
-
-
Dugad, L.B.1
La Mar, G.N.2
Banci, L.3
Bertini, I.4
-
84
-
-
0025830994
-
-
(c) Skjeldahl, L.; Westler, W. M.; Oh, B.-H.; Krezel, A. M.; Holden, H. M.; Jacobson, B. L.; Rayment, I.; Markley, J. L. Biochemistry 1991, 30, 7363.
-
(1991)
Biochemistry
, vol.30
, pp. 7363
-
-
Skjeldahl, L.1
Westler, W.M.2
Oh, B.-H.3
Krezel, A.M.4
Holden, H.M.5
Jacobson, B.L.6
Rayment, I.7
Markley, J.L.8
-
86
-
-
0029467008
-
-
(b) Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J. M. Coord. Chem. Rev. 1995, 144, 199.
-
(1995)
Coord. Chem. Rev.
, vol.144
, pp. 199
-
-
Noodleman, L.1
Peng, C.Y.2
Case, D.A.3
Mouesca, J.M.4
-
87
-
-
0001330455
-
-
(a) Noodleman, L., Case, D. A.; Mouesca, J. M.; Lamotte, B. J. Bio. Inorg. Chem. 1996, 1, 177.
-
(1996)
J. Bio. Inorg. Chem.
, vol.1
, pp. 177
-
-
Noodleman, L.1
Case, D.A.2
Mouesca, J.M.3
Lamotte, B.4
-
89
-
-
0015213014
-
-
Palmer, G.; Dunham, W. R.; Fee, J. A.; Sands, R. H.; Izuka, T.; Yonetani, T. Biochim. Biophys Acta 1971, 240, 201.
-
(1971)
Biochim. Biophys Acta
, vol.240
, pp. 201
-
-
Palmer, G.1
Dunham, W.R.2
Fee, J.A.3
Sands, R.H.4
Izuka, T.5
Yonetani, T.6
-
90
-
-
0344345652
-
-
Gillum, W. O.; Frankel, R. B.; Foner, S.; Holm, R. H. Inorg. Chem. 1976, 15, 1095.
-
(1976)
Inorg. Chem.
, vol.15
, pp. 1095
-
-
Gillum, W.O.1
Frankel, R.B.2
Foner, S.3
Holm, R.H.4
-
91
-
-
0019333386
-
-
Petersson, L.; Cammack, R.; Rao, K. K. Biochim. Biophys. Acta 1980, 622, 18.
-
(1980)
Biochim. Biophys. Acta
, vol.622
, pp. 18
-
-
Petersson, L.1
Cammack, R.2
Rao, K.K.3
-
92
-
-
0004264770
-
-
Lovenberg, W., Ed.; Academic Press: New York
-
Palmer, G. In Iron - Sulfur Proteins; Lovenberg, W., Ed.; Academic Press: New York, 1973.
-
(1973)
Iron - Sulfur Proteins
-
-
Palmer, G.1
-
93
-
-
0027384925
-
-
Hurley, J. K.; Salamon, Z.; Meyer, T. E.; Fitch, J.; Cusanovich, M. A.; Markley, J.; Cheng, H.; Xia, B.; Chae, Y. K.; Medina, M.; Gomez-Moreno, C.; Tollin, G. Biochemistry 1993, 32, 9346.
-
(1993)
Biochemistry
, vol.32
, pp. 9346
-
-
Hurley, J.K.1
Salamon, Z.2
Meyer, T.E.3
Fitch, J.4
Cusanovich, M.A.5
Markley, J.6
Cheng, H.7
Xia, B.8
Chae, Y.K.9
Medina, M.10
Gomez-Moreno, C.11
Tollin, G.12
-
94
-
-
0028116514
-
-
Gassner, G.; Wang, L.; Batie, C., Ballou, D. P. Biochemistry 1994, 33, 12184.
-
(1994)
Biochemistry
, vol.33
, pp. 12184
-
-
Gassner, G.1
Wang, L.2
Batie, C.3
Ballou, D.P.4
-
98
-
-
0030734212
-
-
(b) Raymond, K. S.; Grafton, A. K.; Wheeler, R. A. J. Phys. Chem. B 1997, 101, 623.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 623
-
-
Raymond, K.S.1
Grafton, A.K.2
Wheeler, R.A.3
-
99
-
-
33748631597
-
-
(c) Beveridge, A. J.; Williams, M.; Jenkins, T. C. J. Chem. Soc., Faraday Trans. 1996, 92, 763.
-
(1996)
J. Chem. Soc., Faraday Trans.
, vol.92
, pp. 763
-
-
Beveridge, A.J.1
Williams, M.2
Jenkins, T.C.3
-
102
-
-
84988087911
-
-
Gilson, M. K.; Sharp, K. A.; Honig, B. J. Comput. Chem. 1988, 9, 327.
-
(1988)
J. Comput. Chem.
, vol.9
, pp. 327
-
-
Gilson, M.K.1
Sharp, K.A.2
Honig, B.3
-
103
-
-
84986512474
-
-
Brooks, B. R.; Bruccoleri, R. E.; Alafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Alafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
104
-
-
84962364684
-
-
Stephens, P. J.; Jollie, D. R.; Warshel, A. Chem. Rev. 1996, 96, 2471.
-
(1996)
Chem. Rev.
, vol.96
, pp. 2471
-
-
Stephens, P.J.1
Jollie, D.R.2
Warshel, A.3
-
105
-
-
0028023334
-
-
Jensen, G. M.; Warshel, A.; Stephens, P. J. Biochemistry 1994, 33, 10911.
-
(1994)
Biochemistry
, vol.33
, pp. 10911
-
-
Jensen, G.M.1
Warshel, A.2
Stephens, P.J.3
-
106
-
-
0027085658
-
-
Langen, R.; Jensen, G. M.; Jacob, U.; Stephens, P. J.; Warshel, A. J. Biol. Chem. 1992, 267, 25625.
-
(1992)
J. Biol. Chem.
, vol.267
, pp. 25625
-
-
Langen, R.1
Jensen, G.M.2
Jacob, U.3
Stephens, P.J.4
Warshel, A.5
-
107
-
-
0001118184
-
-
Banci, L.; Bertini, I.; Savellini, G. G.; Luchinat, C. Inorg. Chem. 1996, 35, 4248.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 4248
-
-
Banci, L.1
Bertini, I.2
Savellini, G.G.3
Luchinat, C.4
-
108
-
-
0026315648
-
-
Smith, E. T.; Tomich, J. M.; Iwamoto, T.; Richards, J. H.; Mao, Y.; Feinberg, B. A. Biochemistry 1991, 30, 11669.
-
(1991)
Biochemistry
, vol.30
, pp. 11669
-
-
Smith, E.T.1
Tomich, J.M.2
Iwamoto, T.3
Richards, J.H.4
Mao, Y.5
Feinberg, B.A.6
-
109
-
-
33845378908
-
-
Noodleman, L.; Norman, J. G., Jr.; Osborne, J. H.; Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1985, 107, 3418.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3418
-
-
Noodleman, L.1
Norman Jr., J.G.2
Osborne, J.H.3
Aizman, A.4
Case, D.A.5
|