-
2
-
-
0029025445
-
-
Boriak, A.; Christainson, D.; Kingery-Wood, J.; Whitesides, G. M. J. Med. Chem. 1995, 38, 2286-2291.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 2286-2291
-
-
Boriak, A.1
Christainson, D.2
Kingery-Wood, J.3
Whitesides, G.M.4
-
3
-
-
0027400041
-
-
Avila, L. Z.; Chu, Y. H.; Blossey, E. C.; Whitesides, G. M. J. Med. Chem. 1993, 36, 126.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 126
-
-
Avila, L.Z.1
Chu, Y.H.2
Blossey, E.C.3
Whitesides, G.M.4
-
4
-
-
0028048160
-
-
Jain, A.; Huang, S. G.; Whitesides, G. M. J. Am. Chem. Soc. 1994, 116, 5057.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5057
-
-
Jain, A.1
Huang, S.G.2
Whitesides, G.M.3
-
5
-
-
0027936228
-
-
Jain, A.; Whitesides, G. M.; Alexander, R. S.; Christianson, D. W. J. Med. Chem. 1994, 37, 2100.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2100
-
-
Jain, A.1
Whitesides, G.M.2
Alexander, R.S.3
Christianson, D.W.4
-
6
-
-
0024387816
-
-
Baldwin, J. J.; Ponticello, G. S.; Anderson, P. S.; Christy, M. E.; Murko, M. A.; Randall, W. C.; Schwam, H.; Sugrue, M. F.; Springer, J. P.; Gautheron, P. J. Med. Chem. 1989, 32, 2510.
-
(1989)
J. Med. Chem.
, vol.32
, pp. 2510
-
-
Baldwin, J.J.1
Ponticello, G.S.2
Anderson, P.S.3
Christy, M.E.4
Murko, M.A.5
Randall, W.C.6
Schwam, H.7
Sugrue, M.F.8
Springer, J.P.9
Gautheron, P.10
-
7
-
-
0028297112
-
-
Greer, J.; Erickson, J. W.; Baldwin, J. J.; Varney, M. D. J. Med. Chem. 1994, 37, 1035.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1035
-
-
Greer, J.1
Erickson, J.W.2
Baldwin, J.J.3
Varney, M.D.4
-
8
-
-
1542447968
-
-
Alexander, R. S.; Nair, S. K.; Christianson, D. W. Biochemistry 1991, 30, 17320.
-
(1991)
Biochemistry
, vol.30
, pp. 17320
-
-
Alexander, R.S.1
Nair, S.K.2
Christianson, D.W.3
-
10
-
-
0028022705
-
-
Cappalonga, A. M.; Alexander, R. S.; Christianson, D. W.; Whitesides, G. M. J. Am. Chem. Soc. 1994, 116, 5063.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5063
-
-
Cappalonga, A.M.1
Alexander, R.S.2
Christianson, D.W.3
Whitesides, G.M.4
-
13
-
-
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
-
15
-
-
1542552611
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D. J. Chem. Phys. 1983, 79, 927.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 927
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
-
16
-
-
1542552668
-
-
The collisional frequency applied to the oxygen atoms in the molecules of water was 62-1. For a discussion of Langevin dynamics: Brooks, C. L. Karplus, M. Biopolymers.
-
Biopolymers
-
-
Brooks, C.L.1
Karplus, M.2
-
17
-
-
0022068152
-
-
Brooks, C. L.; Brunger, A.; Karplus, M. Biopolymers 1985, 24, 843.
-
(1985)
Biopolymers
, vol.24
, pp. 843
-
-
Brooks, C.L.1
Brunger, A.2
Karplus, M.3
-
19
-
-
1542552669
-
-
Nakagawa, S.; Yu, H.; Karplus, M. Proteins: Struct. Funct. Genet. 1985, 24, 843.
-
(1985)
Proteins: Struct. Funct. Genet.
, vol.24
, pp. 843
-
-
Nakagawa, S.1
Yu, H.2
Karplus, M.3
-
20
-
-
1542762773
-
-
That is, if the peptide group was outside the buffer region, then the entire amino acid was deleted
-
That is, if the peptide group was outside the buffer region, then the entire amino acid was deleted.
-
-
-
-
22
-
-
0003525155
-
-
Wiley: New York
-
Brooks, C. L.; Karplus, M.; Pettitt, B. M. Proteins: a theoretical perspective of dynamics, structure, and thermodynamics; Wiley: New York, 1988; Vol. 71.
-
(1988)
Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics
, vol.71
-
-
Brooks, C.L.1
Karplus, M.2
Pettitt, B.M.3
-
23
-
-
0028912595
-
-
Clarage, J. B.; Romo, T.; Andrews, B. K.; Pettitt, B. M. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 3288-3292.
-
(1995)
Proc. Natl. Acad. Sci. U.S.A.
, vol.92
, pp. 3288-3292
-
-
Clarage, J.B.1
Romo, T.2
Andrews, B.K.3
Pettitt, B.M.4
-
25
-
-
1542552670
-
-
note
-
We calculated the isomerization rate by counting the number of times a torsion crossed a barrier into a neighboring well and then divided this number by the length of the simulation.
-
-
-
-
26
-
-
1542762790
-
-
We did not include hydrogen atoms in the calculation of the rms difference in atomic positions
-
We did not include hydrogen atoms in the calculation of the rms difference in atomic positions.
-
-
-
-
28
-
-
1542762825
-
-
note
-
We showed that, for analogous compounds based on oligoglycines, the plane of the -CONH- group in the glycines preferred to pack against the hydrophobic wall in the active site of HCAII.
-
-
-
-
29
-
-
33845377175
-
-
Jorgensen, W. L.; Gao, J.; Ravimohan, C. J. Phys. Chem. 1985, 89, 3470.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 3470
-
-
Jorgensen, W.L.1
Gao, J.2
Ravimohan, C.3
-
30
-
-
0002827429
-
-
Jorgensen, W. L.; Gao, J.; Ravimohan, C. Chemtracts: Org. Chem. 1991, 4, 91.
-
(1991)
Chemtracts: Org. Chem.
, vol.4
, pp. 91
-
-
Jorgensen, W.L.1
Gao, J.2
Ravimohan, C.3
-
31
-
-
33746824856
-
-
Blokzijl, W.; Engberts, J. B. F. N. Angew. Chem., Int. Ed. Engl. 1993, 32, 1545.
-
(1993)
Angew. Chem., Int. Ed. Engl.
, vol.32
, pp. 1545
-
-
Blokzijl, W.1
Engberts, J.B.F.N.2
-
32
-
-
1542657652
-
-
Holloway et al. J. Med. Chem. 1995, 38, 236-240.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 236-240
-
-
Holloway1
|