-
2
-
-
0036882393
-
-
Lecaille, F.; Kaleta, J.; Brömme, D. Chem. Rev. 2002, 102, 4459.
-
(2002)
Chem. Rev
, vol.102
, pp. 4459
-
-
Lecaille, F.1
Kaleta, J.2
Brömme, D.3
-
3
-
-
0026655786
-
-
Huet, G.; Flip, R. M.; Richet, C.; Thiebet, C.; Demeyer, D.; Balduyck, M.; Duquesnoy, B.; Degand, P. Clin. Chem. 1992, 38, 1694.
-
(1992)
Clin. Chem
, vol.38
, pp. 1694
-
-
Huet, G.1
Flip, R.M.2
Richet, C.3
Thiebet, C.4
Demeyer, D.5
Balduyck, M.6
Duquesnoy, B.7
Degand, P.8
-
4
-
-
0025676568
-
-
Sloane, B. F.; Moin, K.; Krepela, E.; Rozhin, J. Cancer Methastasis Rev. 1990, 9, 333.
-
(1990)
Cancer Methastasis Rev
, vol.9
, pp. 333
-
-
Sloane, B.F.1
Moin, K.2
Krepela, E.3
Rozhin, J.4
-
5
-
-
0024208917
-
-
Rosenthal, P. J.; McKerrow, J. H.; Aikawa, M.; Nagasawa, H.; Leech, J. J.; Malarial, A. J. Clin. Invest. 1988, 82, 1560.
-
(1988)
J. Clin. Invest
, vol.82
, pp. 1560
-
-
Rosenthal, P.J.1
McKerrow, J.H.2
Aikawa, M.3
Nagasawa, H.4
Leech, J.J.5
Malarial, A.6
-
6
-
-
46949089980
-
-
Lewis, S. D.; Johnson, F. A.; Shafer, J. A. Biochemistry 1976, 82, 2009.
-
(1976)
Biochemistry
, vol.82
, pp. 2009
-
-
Lewis, S.D.1
Johnson, F.A.2
Shafer, J.A.3
-
7
-
-
0019322077
-
-
Creighton, D. J.; Gessouroun, M. S.; Heapes, J. M. FEBS Lett. 1980, 110, 319.
-
(1980)
FEBS Lett
, vol.110
, pp. 319
-
-
Creighton, D.J.1
Gessouroun, M.S.2
Heapes, J.M.3
-
8
-
-
0019873836
-
-
Lewis, S. D.; Johnson, F. A.; Shafer, J. A. Biochemistry 1981, 20, 48.
-
(1981)
Biochemistry
, vol.20
, pp. 48
-
-
Lewis, S.D.1
Johnson, F.A.2
Shafer, J.A.3
-
9
-
-
0019873845
-
-
Johnson, F. A.; Lewis, S. D.; Shafer, J. A. Biochemistry 1981, 20, 44.
-
(1981)
Biochemistry
, vol.20
, pp. 44
-
-
Johnson, F.A.1
Lewis, S.D.2
Shafer, J.A.3
-
11
-
-
0018452287
-
-
van Duijnen, P. T.; Thole, B. T.; Hol, W. G. Biophys. Chem. 1979, 9, 273.
-
(1979)
Biophys. Chem
, vol.9
, pp. 273
-
-
van Duijnen, P.T.1
Thole, B.T.2
Hol, W.G.3
-
12
-
-
26744448182
-
-
Broer, R.; van Duijnen, P.Th.; Nieuwpoort, W. C. Chem. Phys. Lett. 1976, 42, 525.
-
(1976)
Chem. Phys. Lett
, vol.42
, pp. 525
-
-
Broer, R.1
van Duijnen, P.T.2
Nieuwpoort, W.C.3
-
13
-
-
0025973269
-
-
Aqvist, J.; Luecke, H.; Quiocho, F. A.; Warshel, A. Proc. Natl. Acad. Sci. U.S.A 1991, 88, 2026.
-
(1991)
Proc. Natl. Acad. Sci. U.S.A
, vol.88
, pp. 2026
-
-
Aqvist, J.1
Luecke, H.2
Quiocho, F.A.3
Warshel, A.4
-
14
-
-
31144438952
-
-
Roos, G.; Loverix, S.; Geerlings, P. J. Phys. Chem. B 2006, 110, 557.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 557
-
-
Roos, G.1
Loverix, S.2
Geerlings, P.3
-
15
-
-
31144444127
-
-
Sancho, J.; Serrano, L.; Fersht, A. R. Biochemistry 1992, 31, 22.
-
(1992)
Biochemistry
, vol.31
, pp. 22
-
-
Sancho, J.1
Serrano, L.2
Fersht, A.R.3
-
16
-
-
0024961758
-
-
Rullmann, J. A.; Bellido, M. N.; van Duijnen, P. T. J. Mol. Biol. 1989, 206, 101.
-
(1989)
J. Mol. Biol
, vol.206
, pp. 101
-
-
Rullmann, J.A.1
Bellido, M.N.2
van Duijnen, P.T.3
-
17
-
-
46949092243
-
-
Warshel, A. in Computer Modeling of Chemical Reactions in Enzymews and Solutions John Wiley & Sons: New York, 1991, pp. 140-144.
-
Warshel, A. in Computer Modeling of Chemical Reactions in Enzymews and Solutions John Wiley & Sons: New York, 1991, pp. 140-144.
-
-
-
-
19
-
-
0000728542
-
-
Lee, F. S.; Chu, Z. T.; Warshel, A. J. Comput. Chem. 1993, 14, 161.
-
(1993)
J. Comput. Chem
, vol.14
, pp. 161
-
-
Lee, F.S.1
Chu, Z.T.2
Warshel, A.3
-
23
-
-
84962407693
-
-
Strajbl, M.; Florian, J.; Warshel, A. J. Phys. Chem. B 2001, 105, 4471.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 4471
-
-
Strajbl, M.1
Florian, J.2
Warshel, A.3
-
24
-
-
0025276611
-
-
Arad, D.; Langridge, R.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 491.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 491
-
-
Arad, D.1
Langridge, R.2
Kollman, P.A.3
-
25
-
-
0031576658
-
-
Harrison, M. J.; Burton, N. A.; Hillier, I. H. J. Am. Chem. Soc. 1997, 119, 12285.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 12285
-
-
Harrison, M.J.1
Burton, N.A.2
Hillier, I.H.3
-
26
-
-
0032897320
-
-
Han, W. G.; Tajkhorshid, E.; Suhai, S. J. Biomol. Struct. Dyn. 1999, 16, 1019.
-
(1999)
J. Biomol. Struct. Dyn
, vol.16
, pp. 1019
-
-
Han, W.G.1
Tajkhorshid, E.2
Suhai, S.3
-
27
-
-
35948986438
-
-
Ma, S.; Devi-Kesavan, L. S.; Gao, J. J. Am. Chem. Soc. 2007, 129, 13633.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 13633
-
-
Ma, S.1
Devi-Kesavan, L.S.2
Gao, J.3
-
28
-
-
33749002536
-
-
Vicik, R.; Helten, H.; Schirmeister, T.; Engels, B. ChemMedChem 2006, 3, 1021.
-
(2006)
ChemMedChem
, vol.3
, pp. 1021
-
-
Vicik, R.1
Helten, H.2
Schirmeister, T.3
Engels, B.4
-
29
-
-
4944256999
-
-
Helten, H.; Schirmeister, T.; Engels, B. J. Phys. Chem. A 2004, 108, 7691.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 7691
-
-
Helten, H.1
Schirmeister, T.2
Engels, B.3
-
30
-
-
11844285645
-
-
Helten, H.; Schirmeister, T.; Engels, B. J. Org. Chem. 2005, 70, 233.
-
(2005)
J. Org. Chem
, vol.70
, pp. 233
-
-
Helten, H.1
Schirmeister, T.2
Engels, B.3
-
31
-
-
34547587912
-
-
Mladenovic, M.; Schirmeister, T.; Thiel, S.; Thiel, W.; Engels, B. ChemMedChem 2007, 2, 120.
-
(2007)
ChemMedChem
, vol.2
, pp. 120
-
-
Mladenovic, M.1
Schirmeister, T.2
Thiel, S.3
Thiel, W.4
Engels, B.5
-
32
-
-
0038337076
-
-
Dardenne, L. E.; Werneck, A. S.; de Oliveira Neto, M.; Bisch, P. M. Proteins 2003, 52, 236.
-
(2003)
Proteins
, vol.52
, pp. 236
-
-
Dardenne, L.E.1
Werneck, A.S.2
de Oliveira Neto, M.3
Bisch, P.M.4
-
33
-
-
34547507515
-
-
For recent reviews see
-
(a) For recent reviews see Senn, H. M.; Thiel, W. Top. Curr. Chem. 2007, 268, 173.
-
(2007)
Top. Curr. Chem
, vol.268
, pp. 173
-
-
Senn, H.M.1
Thiel, W.2
-
36
-
-
0037014129
-
-
Yamamoto, A.; Tomoo, K.; Matsugi, K.; Hara, T.; Murata, Y. M.; Kitamura, K.; Ishida, T. Biochim. Biophys. Acta 2002, 1597, 244.
-
(2002)
Biochim. Biophys. Acta
, vol.1597
, pp. 244
-
-
Yamamoto, A.1
Tomoo, K.2
Matsugi, K.3
Hara, T.4
Murata, Y.M.5
Kitamura, K.6
Ishida, T.7
-
37
-
-
22944467757
-
-
(a) Verlet, L. Phys. Rev. 1967, 159, 98.
-
(1967)
Phys. Rev
, vol.159
, pp. 98
-
-
Verlet, L.1
-
39
-
-
33750587438
-
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
-
(1984)
J. Chem. Phys
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
42
-
-
12044253640
-
-
Musil, D.; Zucic, D.; Turk, D.; Engh, R. A.; Mayr, I.; Huber, R.; Popovic, T.; Turk, V.; Towatari, T.; Katunuma, N.; Bode, W. EMBO J. 1991, 10, 2321.
-
(1991)
EMBO J
, vol.10
, pp. 2321
-
-
Musil, D.1
Zucic, D.2
Turk, D.3
Engh, R.A.4
Mayr, I.5
Huber, R.6
Popovic, T.7
Turk, V.8
Towatari, T.9
Katunuma, N.10
Bode, W.11
-
43
-
-
0003035460
-
-
Pickersgill, R. W.; Harris, G. W.; Garman, E. Acta Crystallogr., Sect.B 1992, 48, 59.
-
(1992)
Acta Crystallogr., Sect.B
, vol.48
, pp. 59
-
-
Pickersgill, R.W.1
Harris, G.W.2
Garman, E.3
-
44
-
-
0021770943
-
-
Kamphuis, I. G.; Kalk, K. H.; Swarte, M. B.; Drenth, J. J. Mol. Biol. 1984, 179, 233.
-
(1984)
J. Mol. Biol
, vol.179
, pp. 233
-
-
Kamphuis, I.G.1
Kalk, K.H.2
Swarte, M.B.3
Drenth, J.4
-
46
-
-
84986512474
-
-
(b) 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
-
47
-
-
46949083588
-
-
MacKerell, A. D., Jr.; Brooks, B. R.; Brooks, C. L., III; Nilsson, L.; Roux, B.; Won, Y.; Karplus, M. In The Encyclopedia of Computational Chemistry; Schleyer P. v. R. et al., Eds.; John Wiley & Sons: Chichester, 1998; 1, p. 271.
-
(c) MacKerell, A. D., Jr.; Brooks, B. R.; Brooks, C. L., III; Nilsson, L.; Roux, B.; Won, Y.; Karplus, M. In The Encyclopedia of Computational Chemistry; Schleyer P. v. R. et al., Eds.; John Wiley & Sons: Chichester, 1998; Vol. 1, p. 271.
-
-
-
-
48
-
-
0242391123
-
-
Sherwood, P.; de Vries, A. H.; Guest, M. F.; Schreckenbach, G.; Catlow, C. R. A.; French, S. A.; Sokol, A. A.; Bromley, S. T.; Thiel, W.; Turner, A. J. THEOCHEM 2003, 632, 1.
-
(2003)
THEOCHEM
, vol.632
, pp. 1
-
-
Sherwood, P.1
de Vries, A.H.2
Guest, M.F.3
Schreckenbach, G.4
Catlow, C.R.A.5
French, S.A.6
Sokol, A.A.7
Bromley, S.T.8
Thiel, W.9
Turner, A.J.10
-
50
-
-
0842341771
-
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. G.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
-
(1985)
J. Am. Chem. Soc
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.G.3
Stewart, J.J.P.4
-
53
-
-
84943502952
-
-
(b) Nosé, S. J. Mol. Phys. 1984, 52, 255.
-
(1984)
Mol. Phys
, vol.52
, pp. 255
-
-
Nosé, S.J.1
-
55
-
-
36449000062
-
-
(d) Martyna, G. J.; Klein, M. L.; Tuckerman, M. J. Chem. Phys. 1992, 97, 2635.
-
(1992)
J. Chem. Phys
, vol.97
, pp. 2635
-
-
Martyna, G.J.1
Klein, M.L.2
Tuckerman, M.3
-
56
-
-
20344365516
-
-
(a) Vahtras, O.; Almlöf, J.; Feyereisen, M. W. Chem. Phys. Lett. 1993, 213, 514.
-
(1993)
Chem. Phys. Lett
, vol.213
, pp. 514
-
-
Vahtras, O.1
Almlöf, J.2
Feyereisen, M.W.3
-
57
-
-
3743098842
-
-
(b) Eichkorn, K.; Treutler, O.; ; Ohm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 242, 652.
-
(1995)
Chem. Phys. Lett
, vol.242
, pp. 652
-
-
Eichkorn, K.1
Treutler, O.2
Ohm, H.3
Häser, M.4
Ahlrichs, R.5
-
59
-
-
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
-
60
-
-
0039209924
-
-
Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1997, 100, 5829.
-
(1997)
J. Chem. Phys
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
61
-
-
0034833553
-
-
Adam, W.; Bottke, N.; Engels, B.; Krebs, O. J. Am. Chem. Soc. 2001, 123, 5542.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 5542
-
-
Adam, W.1
Bottke, N.2
Engels, B.3
Krebs, O.4
-
62
-
-
28044431617
-
-
Schlund, S.; Mladenovic, M.; Basilio; Janke, E. M.; Engels, B.; Weisz, K. J. Am. Chem. Soc. 2005, 127, 16151.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 16151
-
-
Schlund, S.1
Mladenovic, M.2
Basilio3
Janke, E.M.4
Engels, B.5
Weisz, K.6
-
63
-
-
14844354530
-
-
Hupp, T.; Sturm, C.; Basilio Janke, E. M.; Perez Cabre, M.; Weisz, K.; Engels, B. J. Phys. Chem. 2005, 109, 1703.
-
(2005)
J. Phys. Chem
, vol.109
, pp. 1703
-
-
Hupp, T.1
Sturm, C.2
Basilio Janke, E.M.3
Perez Cabre, M.4
Weisz, K.5
Engels, B.6
-
64
-
-
0037116498
-
-
Engels, B.; Schoeneboom, J. C.; Munster, A. F.; Groetsch, S.; Christl, M. J. Am. Chem. Soc. 2002, 124, 287.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 287
-
-
Engels, B.1
Schoeneboom, J.C.2
Munster, A.F.3
Groetsch, S.4
Christl, M.5
-
65
-
-
0000906157
-
-
Suter, H. U.; Pleß, V.; Ernzerhof, M.; Engels, B. Chem. Phys. Lett. 1994, 230, 398.
-
(1994)
Chem. Phys. Lett
, vol.230
, pp. 398
-
-
Suter, H.U.1
Pleß, V.2
Ernzerhof, M.3
Engels, B.4
-
68
-
-
0032544307
-
-
Sehmittel, M.; Steffen, J. P.; Engels, B.; et al. Angew. Chem., Int. Ed. 1998, 37, 2371.
-
(1998)
Angew. Chem., Int. Ed
, vol.37
, pp. 2371
-
-
Sehmittel, M.1
Steffen, J.P.2
Engels, B.3
-
70
-
-
0034744616
-
-
Engels, B.; Hanrath, M.; Lennartz, C. Computer & Chemistry 2001, 25, 15.
-
(2001)
Computer & Chemistry
, vol.25
, pp. 15
-
-
Engels, B.1
Hanrath, M.2
Lennartz, C.3
-
72
-
-
46949097828
-
-
Ahlrichs R, Bär M, Baron H.-P, Bauernschmitt R, Böcker S, Ehrig M, Eichkorn K, Elliott S, Furche F, Haase F, et al. TURBOMOLE, since 1988 Version 5.6; University of Karlsruhe, Germany
-
Ahlrichs R., Bär M., Baron H.-P., Bauernschmitt R., Böcker S., Ehrig M., Eichkorn K., Elliott S., Furche F., Haase F., et al. TURBOMOLE, (since 1988) Version 5.6; University of Karlsruhe, Germany.
-
-
-
-
73
-
-
0034658025
-
-
Billeter, S. R.; Turner, A. J.; Thiel, W. Phys. Chem. Chem. Phys. 2000, 2, 2177.
-
(2000)
Phys. Chem. Chem. Phys
, vol.2
, pp. 2177
-
-
Billeter, S.R.1
Turner, A.J.2
Thiel, W.3
-
74
-
-
33644776045
-
-
Rosta, E.; Klähn, M.; Warshel, A. J. Phys. Chem. B 2006, 110, 2934.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 2934
-
-
Rosta, E.1
Klähn, M.2
Warshel, A.3
-
75
-
-
33745294923
-
-
Kästner, J.; Senn, H. M.; Thiel, S.; Otte, N.; Thiel, W. J. Chem. Theory Comput. 2006, 2, 452.
-
(2006)
J. Chem. Theory Comput
, vol.2
, pp. 452
-
-
Kästner, J.1
Senn, H.M.2
Thiel, S.3
Otte, N.4
Thiel, W.5
-
76
-
-
0000145441
-
-
Zhang, J.; Liu, H.; Yang, W. J. Chem. Phys. 2000, 112, 3483.
-
(2000)
J. Chem. Phys
, vol.112
, pp. 3483
-
-
Zhang, J.1
Liu, H.2
Yang, W.3
-
77
-
-
0025743628
-
-
Bash, P. A.; Field, M. J.; Davenport, R. C.; Petsko, G. A.; Ringe, D.; Karplus, M. Biochemistry 1991, 30, 5826.
-
(1991)
Biochemistry
, 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
-
79
-
-
4344669913
-
-
Wong, K. F.; Watney, J. B.; Hammes-Schiffer, S. J. Phys. Chem. B 2004, 108, 12231.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 12231
-
-
Wong, K.F.1
Watney, J.B.2
Hammes-Schiffer, S.3
-
80
-
-
84961980743
-
-
(a) Klamt, A.; Schürmann, G. J. J. Chem. Soc., Perkin. Trans. 2 1993, 5, 799.
-
(1993)
J. Chem. Soc., Perkin. Trans. 2
, vol.5
, pp. 799
-
-
Klamt, A.1
Schürmann, G.J.2
-
81
-
-
0034656445
-
-
(b) Schäfer, A.; Klamt, A.; Sattel, D.; Lohrenz, J. C. W.; Eckert, F. Phys. Chem. Chem. Phys. 2000, 2, 2187.
-
(2000)
Phys. Chem. Chem. Phys
, vol.2
, pp. 2187
-
-
Schäfer, A.1
Klamt, A.2
Sattel, D.3
Lohrenz, J.C.W.4
Eckert, F.5
-
82
-
-
46949103330
-
-
Mladenovic, M.; Junold, K.; Fink, R. F.; Thiel, W.; Schirmeister, T.; Engels, B. J. Phys. Chem. B 2008, 112, 5458.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 5458
-
-
Mladenovic, M.1
Junold, K.2
Fink, R.F.3
Thiel, W.4
Schirmeister, T.5
Engels, B.6
|