-
8
-
-
0033519723
-
-
(b) Kohen, A.; Cannio, R.; Bartolucci, S. Klinman, J. Nature 2000, 399, 496.
-
(2000)
Nature
, vol.399
, pp. 496
-
-
Kohen, A.1
Cannio, R.2
Bartolucci, S.3
Klinman, J.4
-
10
-
-
0001119418
-
-
Eklund, H.; Palpp, B.V.; Samama, J.P.; Brändén, J. Biol. Chem. 1982, 257, 14359.
-
(1982)
J. Biol. Chem.
, vol.257
, pp. 14359
-
-
Eklund, H.1
Palpp, B.V.2
Samama, J.P.3
Brändén4
-
11
-
-
0028300618
-
-
Ramaswamy, S.; Eklund, H.; Plapp, B.V. Biochem. 1994, 33, 5230.
-
(1994)
Biochem.
, vol.33
, pp. 5230
-
-
Ramaswamy, S.1
Eklund, H.2
Plapp, B.V.3
-
12
-
-
0027434094
-
-
Shearer, G.L.; Kim, K.; Lee, K.M.; Wang, C.K.; Plapp, B.V. Biochem. 1993, 32, 11186.
-
(1993)
Biochem.
, vol.32
, pp. 11186
-
-
Shearer, G.L.1
Kim, K.2
Lee, K.M.3
Wang, C.K.4
Plapp, B.V.5
-
13
-
-
0344631780
-
-
Ramaswamy, S.; Park, D.H.; Plapp, B.V. Biochem. 1999, 38, 13951.
-
(1999)
Biochem.
, vol.38
, pp. 13951
-
-
Ramaswamy, S.1
Park, D.H.2
Plapp, B.V.3
-
17
-
-
0026092212
-
-
Ehrig, T.; Hurley, T.D.; Edenberg, H.J.; Bosron, W.F. Biochem. 1991, 30, 1062.
-
(1991)
Biochem.
, vol.30
, pp. 1062
-
-
Ehrig, T.1
Hurley, T.D.2
Edenberg, H.J.3
Bosron, W.F.4
-
18
-
-
0032502325
-
-
Inoue, J.; Tomioka, N.; Itai, A.; Harayama, S. Biochem. 1998, 37, 3305.
-
(1998)
Biochem.
, vol.37
, pp. 3305
-
-
Inoue, J.1
Tomioka, N.2
Itai, A.3
Harayama, S.4
-
19
-
-
0027196492
-
-
Bahnson, B.J.; Park, D.H.; Kim, K.; Plapp, B.V.; Klinman, J.P. Biochem. 1993, 32, 5503.
-
(1993)
Biochem.
, vol.32
, pp. 5503
-
-
Bahnson, B.J.1
Park, D.H.2
Kim, K.3
Plapp, B.V.4
Klinman, J.P.5
-
20
-
-
0030722317
-
-
Bahnson, B.J. Colby, T.D.; Chin, K.J.; Goldstein, B.M.; Klinman, J.P. Proc. Natl. Acad. Sci. U.S.A., 1997, 94, 12797.
-
(1997)
Proc. Natl. Acad. Sci. U.S.A.
, vol.94
, pp. 12797
-
-
Bahnson, B.J.1
Colby, T.D.2
Chin, K.J.3
Goldstein, B.M.4
Klinman, J.P.5
-
21
-
-
0011132767
-
-
Schmidt, J.; Chen, J.; DeTraglia, M.; Minkel, D.; McFarland, J.T. J. Am. Chem. Soc. 1979, 101, 3634.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 3634
-
-
Schmidt, J.1
Chen, J.2
DeTraglia, M.3
Minkel, D.4
McFarland, J.T.5
-
25
-
-
22944453104
-
-
(b) Vanhommerig, S.A.M.; Meier, R.J.; Sluyterman, L.A.; Meijer, E.M. J. Mole. Struct.: THEOCHEM 1996, 364, 33.
-
(1996)
J. Mole. Struct.: THEOCHEM
, vol.364
, pp. 33
-
-
Vanhommerig, S.A.M.1
Meier, R.J.2
Sluyterman, L.A.3
Meijer, E.M.4
-
26
-
-
0042065992
-
-
(c) Cárdenas, R.; Andrés, J.; Krechl, J.; Campillo, M.; Tapia, O. Int. J. Quantum Chem. 1996, 57, 245.
-
(1996)
Int. J. Quantum Chem.
, vol.57
, pp. 245
-
-
Cárdenas, R.1
Andrés, J.2
Krechl, J.3
Campillo, M.4
Tapia, O.5
-
28
-
-
0029785756
-
-
(e) Olson, L.P.; Luo, J.; Almarsson, O.; Bruice, T.C. Biochem. 1996, 35, 9782.
-
(1996)
Biochem.
, vol.35
, pp. 9782
-
-
Olson, L.P.1
Luo, J.2
Almarsson, O.3
Bruice, T.C.4
-
29
-
-
0034679001
-
-
(a) Agarwal, P.K.; Webb, S.P.; Hammes-Schiffer, S. J. Am. Chem. Soc. 2000, 122, 4803.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 4803
-
-
Agarwal, P.K.1
Webb, S.P.2
Hammes-Schiffer, S.3
-
30
-
-
0034269897
-
-
(b) Webb, S.P.; Agarwal, P.K.; Hammes-Schiffer, S. J. Phys. Chem. B 2000, 104, 8884.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 8884
-
-
Webb, S.P.1
Agarwal, P.K.2
Hammes-Schiffer, S.3
-
31
-
-
0034734365
-
-
Alhambra, C.; Corchado, J.C.; Sánchez, M.L.; Gao, J.; Truhlar, D.G. J. Am. Chem. Soc. 2000, 122, 8197.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8197
-
-
Alhambra, C.1
Corchado, J.C.2
Sánchez, M.L.3
Gao, J.4
Truhlar, D.G.5
-
34
-
-
0344418714
-
-
(a) Sham, Y.Y.; Muegge, I.; Warshel, A. Proteins: Struct., Funct., Genet. 1999, 36, 484.
-
(1999)
Proteins: Struct., Funct., Genet.
, vol.36
, pp. 484
-
-
Sham, Y.Y.1
Muegge, I.2
Warshel, A.3
-
36
-
-
0030904273
-
-
(c) Stowell, M.H.B.; McPhillips, T.M.; Rees, D.C.; Soltis, S.M.; Abresch, E. Feher, G. Science, 1997, 276, 812.
-
(1997)
Science
, vol.276
, pp. 812
-
-
Stowell, M.H.B.1
McPhillips, T.M.2
Rees, D.C.3
Soltis, S.M.4
Abresch, E.5
Feher, G.6
-
37
-
-
0033581879
-
-
For a recent study, see: Rastogi, V.K.; Girvin, M.E. Nature, 1999, 402, 263.
-
(1999)
Nature
, vol.402
, pp. 263
-
-
Rastogi, V.K.1
Girvin, M.E.2
-
39
-
-
0031025267
-
-
Kohen, A.; Jonsson, T.; Klinman, J.P. Biochem. 1997, 36, 2603.
-
(1997)
Biochem.
, vol.36
, pp. 2603
-
-
Kohen, A.1
Jonsson, T.2
Klinman, J.P.3
-
40
-
-
0001784518
-
-
Cooper, A., Houben, J., Chien, L., Eds.; Plenum: New York
-
Borgis, D.; Hynes, J.T. In The Enzyme Catalysis Process; Cooper, A., Houben, J., Chien, L., Eds.; Plenum: New York, 1989; p 293.
-
(1989)
The Enzyme Catalysis Process
, pp. 293
-
-
Borgis, D.1
Hynes, J.T.2
-
46
-
-
0035138648
-
-
Cui, Q.; Elstner, M.; Kaxiras, E.; Frauenheim, T.; Karplus, M. J. Phys. Chem. B 2001, 105, 569.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 569
-
-
Cui, Q.1
Elstner, M.2
Kaxiras, E.3
Frauenheim, T.4
Karplus, M.5
-
47
-
-
1542779956
-
-
Elstner, M.; Porezag, D.; Jungnickel, G.; Elsner, J.; Hangk, M.; Frauenheim, T.; Suhai, S.; Seifert, G. Phys. Rev. B 1998, 58, 7260.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 7260
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Hangk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
48
-
-
84986512474
-
-
Brooks, B.R.; Bruccoleri, R.E.; Olafson, 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
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
49
-
-
84986513644
-
-
Field, M.; Bash, P.A.; Karplus, M. J. Comput. Chem. 1990, 11, 700.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 700
-
-
Field, M.1
Bash, P.A.2
Karplus, M.3
-
50
-
-
0011135219
-
-
To be submitted
-
Elstner, M.; Cui, Q.; Munich, P.; Kaxiras, E.; Frauenheim, T.; Karplus, M. To be submitted.
-
-
-
Elstner, M.1
Cui, Q.2
Munich, P.3
Kaxiras, E.4
Frauenheim, T.5
Karplus, M.6
-
51
-
-
0028152242
-
-
Alkaradaghi, S.; Cedegrenzeppezauer, E.S.; Hovmoller, S.; Petratos, K.; Terry, H.; Wilson, K.S. Acta Crystallogr. D 1994, 50, 793.
-
(1994)
Acta Crystallogr. D
, vol.50
, pp. 793
-
-
Alkaradaghi, S.1
Cedegrenzeppezauer, E.S.2
Hovmoller, S.3
Petratos, K.4
Terry, H.5
Wilson, K.S.6
-
54
-
-
0001763714
-
-
Reuter, N.; Dejaegere, A.; Maigret, B.; Karphis, M. J. Phys. Chem. B 2000, 104, 1720.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 1720
-
-
Reuter, N.1
Dejaegere, A.2
Maigret, B.3
Karphis, M.4
-
56
-
-
0031561292
-
-
Simonson, T.; Archontis, G.; Karplus, M. J. Phys. Chem. B 1997, 101, 8349.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 8349
-
-
Simonson, T.1
Archontis, G.2
Karplus, M.3
-
57
-
-
0000036869
-
-
Neria, E.; Fischer, S.; Karplus, M. J. Chem. Phys. 1996, 105, 1902.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1902
-
-
Neria, E.1
Fischer, S.2
Karplus, M.3
-
58
-
-
0032488817
-
-
Archontis, G.; Simonson, T.; Moras, D.; Karplus, M. J. Mol. Biol. 1998, 275, 823.
-
(1998)
J. Mol. Biol.
, vol.275
, pp. 823
-
-
Archontis, G.1
Simonson, T.2
Moras, D.3
Karplus, M.4
-
61
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
63
-
-
36849115659
-
-
(a) Ditchfield, R.; Hehre, W.J.; Pople, J.A. J. Chem. Phys. 1971, 54, 724.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
64
-
-
0347170005
-
-
(b) Hehre, W.J.; Ditchfield, R.; Pople, J.A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
66
-
-
84987057124
-
-
Barandiaran, Z.; Seijo, L. Huzinaga, S. Klobukowski, M. Int. J. Quantum Chem. 1986, 29, 1047.
-
(1986)
Int. J. Quantum Chem.
, vol.29
, pp. 1047
-
-
Barandiaran, Z.1
Seijo, L.2
Huzinaga, S.3
Klobukowski, M.4
-
68
-
-
0024264819
-
-
Bashford, D.; Cohen, F.E.; Karplus, M.; Kuntz, I.D.; Weaver, D.L. Proteins 1988, 4, 211.
-
(1988)
Proteins
, vol.4
, pp. 211
-
-
Bashford, D.1
Cohen, F.E.2
Karplus, M.3
Kuntz, I.D.4
Weaver, D.L.5
-
71
-
-
0033577302
-
-
Alhambra, C.; Gao, J.; Corchado, J.C.; Villà, J.; Truhlar, D.G. J. Am. Chem. Soc. 1999, 121, 2253.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 2253
-
-
Alhambra, C.1
Gao, J.2
Corchado, J.C.3
Villà, J.4
Truhlar, D.G.5
-
76
-
-
84986519238
-
-
(b) Kumar, S.; Bouzida, D.; Swendsen, R.H.; Kollman, P.A.; Rosenberg, J.M. J. Comput. Chem. 1992, 13, 1011.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1011
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
77
-
-
0033988125
-
-
(a) Vitkup, D.; Ringe, D.; Petsko, G.A.; Karplus, M. Nat. Struct. Biol. 2000, 7, 34.
-
(2000)
Nat. Struct. Biol.
, vol.7
, pp. 34
-
-
Vitkup, D.1
Ringe, D.2
Petsko, G.A.3
Karplus, M.4
-
78
-
-
0011107216
-
-
(b) Zhou, Y.; Vitkup, D.; Karplus, M. J. Mol. Biol. 1999, 285, 13471.
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 13471
-
-
Zhou, Y.1
Vitkup, D.2
Karplus, M.3
-
79
-
-
0025091840
-
-
Smith, J.; Kuczera, K.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 1601.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A.
, vol.87
, pp. 1601
-
-
Smith, J.1
Kuczera, K.2
Karplus, M.3
-
83
-
-
0000609352
-
-
(a) Decornez, H.; Drukker, K.; Hammes-Schiffer, S. J. Phys. Chem. 1999, 103, 2891.
-
(1999)
J. Phys. Chem.
, vol.103
, pp. 2891
-
-
Decornez, H.1
Drukker, K.2
Hammes-Schiffer, S.3
-
85
-
-
0011144413
-
-
note
-
BT/h was assumed, which was found to be appropriate in our previous kinetic modeling of triosephosphate isomerase (ref 49).
-
-
-
-
90
-
-
0026095641
-
-
Beroza, P.; Fredkin, D.R.; Okamura, M.Y.; Feher, G. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 5804.
-
(1991)
Proc. Natl. Acad. Sci. U.S.A.
, vol.88
, pp. 5804
-
-
Beroza, P.1
Fredkin, D.R.2
Okamura, M.Y.3
Feher, G.4
-
94
-
-
0011079380
-
-
note
-
In the current work, a "classical" description means that no tunneling along the reaction coordinate is considered although zero-point energies in the bound vibrational modes are included; i.e., this is equivalent to the "semiclassical" limit referred to in experimental literature (e.g., ref 22) Here, "semiclassical" is reserved for the WKB-based treatment of tunneling.
-
-
-
-
99
-
-
0024573393
-
-
Cha, Y.; Murray, C.J. Klinman, J.P. Science 1989, 243, 1325.
-
(1989)
Science
, vol.243
, pp. 1325
-
-
Cha, Y.1
Murray, C.J.2
Klinman, J.P.3
-
102
-
-
0003448672
-
-
University of Augsburg: Augsberg, FRG
-
(b) Hänggi, P., Pollak, E., Grabert, H., Eds. The Quantum Kramers Problem; University of Augsburg: Augsberg, FRG, 1989.
-
(1989)
The Quantum Kramers Problem
-
-
Hänggi, P.1
Pollak, E.2
Grabert, H.3
-
104
-
-
0000775957
-
-
(a) Berezhkovskii, A.M.; Szabo, A.; Weiss, G.H.; Zhou, H.-X. J. Chem. Phys. 1999, 111, 9952.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 9952
-
-
Berezhkovskii, A.M.1
Szabo, A.2
Weiss, G.H.3
Zhou, H.-X.4
-
108
-
-
0032484096
-
-
(b) Lu, H.P.; Xun, L.Y.; Xie, S. Science, 1998, 282, 1877.
-
(1998)
Science
, vol.282
, pp. 1877
-
-
Lu, H.P.1
Xun, L.Y.2
Xie, S.3
-
109
-
-
0040611135
-
-
(c) Edman, L.; Foldes-Papp, Z.; Wennmalm, S.; Rigler, R. Chem. Phys. 1999, 247, 11.
-
(1999)
Chem. Phys.
, vol.247
, pp. 11
-
-
Edman, L.1
Foldes-Papp, Z.2
Wennmalm, S.3
Rigler, R.4
-
110
-
-
0025734848
-
-
Petrich, J.W.; Lambry, J.-C.; Kuczera, K.; Karplus, M.; Poyart, C.; Martin, J.-L. Biochem. 1991, 30, 3975.
-
(1991)
Biochem.
, vol.30
, pp. 3975
-
-
Petrich, J.W.1
Lambry, J.-C.2
Kuczera, K.3
Karplus, M.4
Poyart, C.5
Martin, J.-L.6
-
114
-
-
0025743628
-
-
Bash, P.A.; Field, M.J.; Davenport, R.C.; Petsko, G.A.; Ringe, D.; Karplus, M. Biochem. 1991, 30, 5826.
-
(1991)
Biochem.
, vol.30
, pp. 5826
-
-
Bash, P.A.1
Field, M.J.2
Davenport, R.C.3
Petsko, G.A.4
Ringe, D.5
Karplus, M.6
-
115
-
-
0032560505
-
-
Zavodszky, P.; Kardos, J.; Svingor, A.; Petsko, G.A. Proc. Natl. Acad. Sci. U.S.A., 1998, 95, 7406.
-
(1998)
Proc. Natl. Acad. Sci. U.S.A.
, vol.95
, pp. 7406
-
-
Zavodszky, P.1
Kardos, J.2
Svingor, A.3
Petsko, G.A.4
-
116
-
-
0035970089
-
-
For an interesting discussion, see: Truhlar, D.G., Kohen, A. Proc. Natl. Acad. Sci. U.S.A., 2001, 98, 848.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A.
, vol.98
, pp. 848
-
-
Truhlar, D.G.1
Kohen, A.2
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