-
1
-
-
1842384715
-
-
Engelsen, S. B., Du Penhoat, C. H., and Perez, S., 1995, J. phys. Chem., 99, 13334
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 13334
-
-
Engelsen, S.B.1
Du Penhoat, C.H.2
Perez, S.3
-
2
-
-
1842302990
-
-
Engelsen, S. B., Perez, S., Braccini, I., and Du Penhoat, C. H., 1995, J. comput. Chem., 16, 1096
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 1096
-
-
Engelsen, S.B.1
Perez, S.2
Braccini, I.3
Du Penhoat, C.H.4
-
3
-
-
0029062484
-
-
Hardy B. J., Egan, W., and Widmalm, G., 1995, Int. J. biol. Macromol., 17, 149.
-
(1995)
Int. J. Biol. Macromol.
, vol.17
, pp. 149
-
-
Hardy, B.J.1
Egan, W.2
Widmalm, G.3
-
4
-
-
0027978318
-
-
Rutherford, T. J., and Homans, S. W., 1994, Biochemistry, 33, 9606
-
(1994)
Biochemistry
, vol.33
, pp. 9606
-
-
Rutherford, T.J.1
Homans, S.W.2
-
5
-
-
0031424426
-
-
Naidoo, K. J., Denysyk, D., and Brady, J. W., 1997, Protein Eng., 10, 1249.
-
(1997)
Protein Eng.
, vol.10
, pp. 1249
-
-
Naidoo, K.J.1
Denysyk, D.2
Brady, J.W.3
-
6
-
-
0037140778
-
-
Stevensson, B., Landersjö, C., Widmalm, G., and Maliniak, A., 2002, J. Am. chem. Soc., 124, 5946.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 5946
-
-
Stevensson, B.1
Landersjö, C.2
Widmalm, G.3
Maliniak, A.4
-
7
-
-
0001619856
-
-
Naidoo, K. J., and Kuttel, M. M., 2001, J. comput. Chem., 22, 445.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 445
-
-
Naidoo, K.J.1
Kuttel, M.M.2
-
8
-
-
0000046092
-
-
Brady, J. W., and Schmidt, R. K., 1993, J. phys. Chem., 97, 958
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 958
-
-
Brady, J.W.1
Schmidt, R.K.2
-
9
-
-
0024201741
-
-
Ha, S. N., Madsen, L. J., and Brady, J. W., 1988, Biopolymers, 27, 1927.
-
(1988)
Biopolymers
, vol.27
, pp. 1927
-
-
Ha, S.N.1
Madsen, L.J.2
Brady, J.W.3
-
10
-
-
84986512474
-
-
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S., and Karplus, M., 1983, J. comput. Chem., 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
-
11
-
-
0036771632
-
-
Kuttel, M. M., Brady, J. W., and Naidoo, K. J., 2002, J. comput. Chem., 23, 1236.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1236
-
-
Kuttel, M.M.1
Brady, J.W.2
Naidoo, K.J.3
-
13
-
-
0004016501
-
-
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., and Klein M. L., 1983, J. chem. Phys., 79, 926.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
14
-
-
0141854225
-
-
in press
-
Chen, Y.-J., and Naidoo, K. J., 2003, J. phys. Chem. B, 107, in press.
-
(2003)
J. Phys. Chem. B
, vol.107
-
-
Chen, Y.-J.1
Naidoo, K.J.2
-
15
-
-
84946450438
-
-
Van Gunsteren, W. F., and Berendsen, H. J. C., 1977, Molec. Phys., 34, 1311.
-
(1977)
Molec. Phys.
, vol.34
, pp. 1311
-
-
Van Gunsteren, W.F.1
Berendsen, H.J.C.2
-
16
-
-
84912142909
-
-
Tasaki, K., McDonald, S., and Brady, J. W., 1993, J. comput. Chem., 14, 278.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 278
-
-
Tasaki, K.1
McDonald, S.2
Brady, J.W.3
-
17
-
-
36449007836
-
-
Feller, S. E., Zhang, Y., Pastor, R. W., and Brooks, B. R., 1995, J. chem. Phys., 103, 4613.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4613
-
-
Feller, S.E.1
Zhang, Y.2
Pastor, R.W.3
Brooks, B.R.4
-
18
-
-
0004133516
-
-
(Pittsburgh, PA: Gaussian, Inc.)
-
Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, J. A., Stratmann, R. E., Burant, J. C., Dapprich, S., Millam, J. M., Daniels, A. D., Kudin, K. N., Strain, M. C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Peterssin, G. A., Al-Laham, M. A., Zakrzewski, V. G., Cui, Q., Morokuma, K., Malick, D. K., Rabuck, A. D., Raghavachari, K., Goresman, J. B., Ortiz, J. V., Cioslowski, J., Baboul, A. G., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R. L., Fox, D. J., Keith, T., Gill, P. M. W., Nanayakkara, A., Challacombe, M., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Johnson, B. G., Stefanov, B. B., Gomperts, R., Head-Gordon, M., Gonzalez, C., and Pople, J. A., 1998, Gaussian 98 (Pittsburgh, PA: Gaussian, Inc.).
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Stratmann, R.E.8
Burant, J.C.9
Dapprich, S.10
Millam, J.M.11
Daniels, A.D.12
Kudin, K.N.13
Strain, M.C.14
Farkas, O.15
Tomasi, J.16
Barone, V.17
Cossi, M.18
Cammi, R.19
Mennucci, B.20
Pomelli, C.21
Adamo, C.22
Clifford, S.23
Ochterski, J.24
Peterssin, G.A.25
Al-Laham, M.A.26
Zakrzewski, V.G.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Goresman, J.B.33
Ortiz, J.V.34
Cioslowski, J.35
Baboul, A.G.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Martin, R.L.41
Fox, D.J.42
Keith, T.43
Gill, P.M.W.44
Nanayakkara, A.45
Challacombe, M.46
Peng, C.Y.47
Ayala, P.Y.48
Chen, W.49
Wong, M.W.50
Johnson, B.G.51
Stefanov, B.B.52
Gomperts, R.53
Head-Gordon, M.54
Gonzalez, C.55
Pople, J.A.56
more..
-
20
-
-
84890021933
-
-
Boys, S. F., and Bernardi, F., 1970, Molec. Phys., 19, 553.
-
(1970)
Molec. Phys.
, vol.19
, pp. 553
-
-
Boys, S.F.1
Bernardi, F.2
-
21
-
-
0000289565
-
-
Takusagawa, F., and Jacobson, R. A., 1978, Acta Crystallogr., B34, 213.
-
(1978)
Acta Crystallogr.
, vol.B34
, pp. 213
-
-
Takusagawa, F.1
Jacobson, R.A.2
-
22
-
-
0000085967
-
-
Gress, M. E., and Jeffrey, G. A., 1977, Acta Crystallogr., B33, 2490.
-
(1977)
Acta Crystallogr.
, vol.B33
, pp. 2490
-
-
Gress, M.E.1
Jeffrey, G.A.2
-
23
-
-
0000091002
-
-
Shashkov, A. S., Lipkind, G. M., and Kochetkov, N. K., 1986, Carbohydr. Res., 147, 175.
-
(1986)
Carbohydr. Res.
, vol.147
, pp. 175
-
-
Shashkov, A.S.1
Lipkind, G.M.2
Kochetkov, N.K.3
-
25
-
-
0026955804
-
-
1992, Biopolymers, 32, 1571.
-
(1992)
Biopolymers
, vol.32
, pp. 1571
-
-
-
27
-
-
0035965871
-
-
Engelsen, S. B., Monteirob, C., Herve De Penhoatb, C., and Perez, S., 2001, Biophys. Chem., 93, 103.
-
(2001)
Biophys. Chem.
, vol.93
, pp. 103
-
-
Engelsen, S.B.1
Monteirob, C.2
Herve De Penhoatb, C.3
Perez, S.4
-
28
-
-
0035942932
-
-
Best, R. E., Jackson, G. E., and Naidoo, K. J., 2001, J. phys. Chem. B, 105, 4742
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 4742
-
-
Best, R.E.1
Jackson, G.E.2
Naidoo, K.J.3
-
29
-
-
0037118369
-
-
Best, R. E., Jackson, G. E., and Naidoo, K. J., 2002, J. phys. Chem. B, 106, 5091.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 5091
-
-
Best, R.E.1
Jackson, G.E.2
Naidoo, K.J.3
-
30
-
-
17444392480
-
-
Svishchev, I. M., and Kusalik, P. G., 1993, J. chem. Phys., 99, 3049
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3049
-
-
Svishchev, I.M.1
Kusalik, P.G.2
-
31
-
-
0028484011
-
-
Kusalik, P. G., and Svishchev, I. M., 1994, Science, 265, 1219
-
(1994)
Science
, vol.265
, pp. 1219
-
-
Kusalik, P.G.1
Svishchev, I.M.2
-
32
-
-
0011669334
-
-
Lui, Q., and Brady, J. W., 1996, J. Am. chem. Soc., 118, 12276
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 12276
-
-
Lui, Q.1
Brady, J.W.2
-
33
-
-
0033575094
-
-
Vishnyakov, A., Widmalm, G., Kowalewski, J., and Laaksonen, A., 1999, J. Am. chem. Soc., 121, 5403.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5403
-
-
Vishnyakov, A.1
Widmalm, G.2
Kowalewski, J.3
Laaksonen, A.4
-
34
-
-
33845551710
-
-
Impey, R. W., Madden, P. A., and McDonald, I. R., 1983, J. chem. Phys., 87, 5071.
-
(1983)
J. Chem. Phys.
, vol.87
, pp. 5071
-
-
Impey, R.W.1
Madden, P.A.2
McDonald, I.R.3
-
36
-
-
0037054822
-
-
Lipkowski, P., Koll, A., Karpfen, A., and Wolschann, P., 2002, Chem. Phys. Lett., 360, 256.
-
(2002)
Chem. Phys. Lett.
, vol.360
, pp. 256
-
-
Lipkowski, P.1
Koll, A.2
Karpfenen, A.3
Wolschann, P.4
-
37
-
-
0037472788
-
-
Wojtulewskia, S., and Grabowski, S. J., 2003, J. molec. Struct. (Theochem), 645, 287.
-
(2003)
J. Molec. Struct. (Theochem)
, vol.645
, pp. 287
-
-
Wojtulewskia, S.1
Grabowski, S.J.2
|