-
1
-
-
0027477251
-
-
See the following references, where the method is explained and its accuracy compared with that obtained with other methods: (a) M. K. Gilson, Proteins: Struct., Funct., Genet., 1993, 15, 266-282;
-
(1993)
Proteins: Struct., Funct., Genet.
, vol.15
, pp. 266-282
-
-
Gilson, M.K.1
-
2
-
-
0028305457
-
-
(b) J. Antosiewicz, J. A. McCammon and M. K. Gilson, J. Mol. Biol., 1994, 238, 415-436.
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 415-436
-
-
Antosiewicz, J.1
McCammon, J.A.2
Gilson, M.K.3
-
3
-
-
0026433544
-
-
C. R. Dunn, H. M. Wilks, D. J. Halsall, T. Atkinson, A. R. Clarke, H. Muirhead and J. J. Holbrook, Philos. Trans. R. Soc. London, Ser. B., 1991, 332, 177-184.
-
(1991)
Philos. Trans. R. Soc. London, Ser. B.
, vol.332
, pp. 177-184
-
-
Dunn, C.R.1
Wilks, H.M.2
Halsall, D.J.3
Atkinson, T.4
Clarke, A.R.5
Muirhead, H.6
Holbrook, J.J.7
-
4
-
-
0035912951
-
-
and references therein
-
See: P. Kedzierski, K. Moreton, A. R. Clarke and J. J. Holbrook, Biochemistry, 2001, 40, 7247-7252 and references therein.
-
(2001)
Biochemistry
, vol.40
, pp. 7247-7252
-
-
Holbrook, J.J.1
-
6
-
-
0000561390
-
-
A. Yadav, R. M. Jackson, J. J. Holbrook and A. Warshel, J. Am. Chem. Soc., 1991, 113, 4800-4805.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4800-4805
-
-
Yadav, A.1
Jackson, R.M.2
Holbrook, J.J.3
Warshel, A.4
-
10
-
-
0026512524
-
-
D. B. Wigley, S. J. Gamblin, J. P. Turkenburg, E. J. Dodson, K. Piontek, H. Muirhead and J. J. Holbrook, J. Mol. Biol., 1992, 223, 217-225.
-
(1992)
J. Mol. Biol.
, vol.223
, pp. 217-225
-
-
Wigley, D.B.1
Gamblin, S.J.2
Turkenburg, J.P.3
Dodson, E.J.4
Piontek, K.5
Muirhead, H.6
Holbrook, J.J.7
-
12
-
-
84986512474
-
-
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan and M. J. Karplus, J. Comput. Chem., 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.J.6
-
13
-
-
0000411659
-
-
J. Gao, P. Amara, C. Alhambra and M. J. Field, J. Phys. Chem. A, 1998, 102, 4714-4721.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4714-4721
-
-
Gao, J.1
Amara, P.2
Alhambra, C.3
Field, M.J.4
-
14
-
-
29644445267
-
-
note
-
a calculations also showed changes in the protonated nitrogen (from Nδ to Nε) in some neutral histidines (157, 188, 266, 318).
-
-
-
-
16
-
-
29644433206
-
-
For a detailed description of the computational method see: S. Ferrer, J. J. Ruiz-Pernia, I. Tunon, V. Moliner, M. Garcia-Viloca, A. Gonzalez-Lafont and J. M. Lluch, J. Chem. Theor. Comput., 2005, 1, 750-761.
-
(2005)
J. Chem. Theor. Comput.
, vol.1
, pp. 750-761
-
-
Ferrer, S.1
Ruiz-Pernia, J.J.2
Tunon, I.3
Moliner, V.4
Garcia-Viloca, M.5
Gonzalez-Lafont, A.6
Lluch, J.M.7
-
17
-
-
29644439729
-
-
note
-
-1 which, considering that the chemical step is not the rate limiting step of LDH catalyzed reaction, would be the upper limit.
-
-
-
-
18
-
-
0022978194
-
-
A. R. Clarke, D. B. Wigley, W. N. Chia, D. Barstow, T. Atkinson and J. J. Holbrook, Nature, 1986, 324, 699-702.
-
(1986)
Nature
, vol.324
, pp. 699-702
-
-
Clarke, A.R.1
Wigley, D.B.2
Chia, W.N.3
Barstow, D.4
Atkinson, T.5
Holbrook, J.J.6
|