-
2
-
-
0029633168
-
GROMACS: A message-passing parallel molecular dynamics implementation
-
Berendsen HJC, van der Spoel D, van Drunen R (1995) GROMACS: A message-passing parallel molecular dynamics implementation. Comp Phys Comm 91: 43-56.
-
(1995)
Comp Phys Comm
, vol.91
, pp. 43-56
-
-
Berendsen, H.J.C.1
Van Der Spoel, D.2
Van Drunen, R.3
-
3
-
-
0031576989
-
Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: A new homology modelling tool
-
Bower MJ, Cohen FE, Dunbrack Jr. RL (1997) Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: A new homology modelling tool. J Mol Biol 267: 1268-1282.
-
(1997)
J Mol Biol
, vol.267
, pp. 1268-1282
-
-
Bower, M.J.1
Cohen, F.E.2
Dunbrack Jr., R.L.3
-
4
-
-
0026542989
-
Substrate recognition sites in cytochrome P450 family 2 (CYP2) proteins inferred from comparative analysis of amino acid and coding and nucleotide sequences
-
Gotoh O (1997) Substrate recognition sites in cytochrome P450 family 2 (CYP2) proteins inferred from comparative analysis of amino acid and coding and nucleotide sequences. J Biol Chem 267: 83-90.
-
(1997)
J Biol Chem
, vol.267
, pp. 83-90
-
-
Gotoh, O.1
-
5
-
-
0029643786
-
Structure and function of cytochrome P450: A comparative analysis of three crystal structures
-
Hasemann C, Kurumbali R, Boddupalli S, Peterson J, Deisenhofer J (1995) Structure and function of cytochrome P450: a comparative analysis of three crystal structures. Structure 3: 41-62.
-
(1995)
Structure
, vol.3
, pp. 41-62
-
-
Hasemann, C.1
Kurumbali, R.2
Boddupalli, S.3
Peterson, J.4
Deisenhofer, J.5
-
7
-
-
0029160249
-
Thermodynamics of water mediating protein-ligand interactions in cytochrome P450cam: A molecular dynamics study
-
Helms V, Wade R (1995) Thermodynamics of water mediating protein-ligand interactions in cytochrome P450cam: A molecular dynamics study. Biophys J 69: 810-824.
-
(1995)
Biophys J
, vol.69
, pp. 810-824
-
-
Helms, V.1
Wade, R.2
-
9
-
-
0032944238
-
The PROSITE database, ist status in 1999
-
Hofmann K, Bucher P, Falquet L, Bairoch A (1999) The PROSITE database, ist status in 1999. Nucleic Acids Res 27: 215-219.
-
(1999)
Nucleic Acids Res
, vol.27
, pp. 215-219
-
-
Hofmann, K.1
Bucher, P.2
Falquet, L.3
Bairoch, A.4
-
10
-
-
0025868688
-
Alteration of high and low spin equilibrium by a single mutation of amino acid 209 in mouse cytochromes P450
-
Iwasaki M, Juvonen RO, Lindberg RLP, Negishi M (1990) Alteration of high and low spin equilibrium by a single mutation of amino acid 209 in mouse cytochromes P450. J Biol Chem 266: 3380-3382.
-
(1990)
J Biol Chem
, vol.266
, pp. 3380-3382
-
-
Iwasaki, M.1
Juvonen, R.O.2
Lindberg, R.L.P.3
Negishi, M.4
-
12
-
-
0025949445
-
Structural function of residue-209 in coumarin 7-hydroxylase
-
Juvonen RO, Iwasaki M, Negishi M (1991) Structural function of residue-209 in coumarin 7-hydroxylase. J Biol Chem 266: 16431-16435.
-
(1991)
J Biol Chem
, vol.266
, pp. 16431-16435
-
-
Juvonen, R.O.1
Iwasaki, M.2
Negishi, M.3
-
13
-
-
0033968218
-
Pronounced differences in inhibition potency of lactone and non lactone compounds for mouse and human coumarin 7 hydroxylases (CYP2A5 and CYP2A6)
-
Juvonen RO, Gynther J, Pasanen M, Alhava E, Poso A (2000) Pronounced differences in inhibition potency of lactone and non lactone compounds for mouse and human coumarin 7 hydroxylases (CYP2A5 and CYP2A6). Xenobiotica 30: 81-92.
-
(2000)
Xenobiotica
, vol.30
, pp. 81-92
-
-
Juvonen, R.O.1
Gynther, J.2
Pasanen, M.3
Alhava, E.4
Poso, A.5
-
14
-
-
0000243829
-
PRO-CHECK: A program to check the stereochemical quality of protein structures
-
Laskowski RA, MacArthur MW, Moss DS, Thornton JM (1993) PRO-CHECK: a program to check the stereochemical quality of protein structures. J Appl Cryst 26: 283-293.
-
(1993)
J Appl Cryst
, vol.26
, pp. 283-293
-
-
Laskowski, R.A.1
MacArthur, M.W.2
Moss, D.S.3
Thornton, J.M.4
-
15
-
-
84986440341
-
SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models
-
Miyamoto S, Kollman PA (1992) SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models. J Comp Chem 13: 952-962.
-
(1992)
J Comp Chem
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
17
-
-
0023061373
-
P450 genes: Structure, evolution and regulation
-
Nebert DW, Gonzales FJ (1987) P450 genes: Structure, evolution and regulation. Annu Rev Biochem 56: 945-993.
-
(1987)
Annu Rev Biochem
, vol.56
, pp. 945-993
-
-
Nebert, D.W.1
Gonzales, F.J.2
-
18
-
-
0023598348
-
Evolution of cytochrome P-450 proteins
-
Nelson DR, Strobel HW (1987) Evolution of cytochrome P-450 proteins. Mol Biol Evol 4: 572-593.
-
(1987)
Mol Biol Evol
, vol.4
, pp. 572-593
-
-
Nelson, D.R.1
Strobel, H.W.2
-
19
-
-
0023155210
-
Tertiary templates in proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes
-
Ponder, JW, Richards, FM (1987) Tertiary Templates in Proteins. Use of Packing Criteria in the Enumeration of Allowed Sequences for Different Structural Classes. J Mol Biol 193: 775-791.
-
(1987)
J Mol Biol
, vol.193
, pp. 775-791
-
-
Ponder, J.W.1
Richards, F.M.2
-
20
-
-
0035099265
-
A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors
-
Poso A, Gynther J, Juvonen RO (2001) A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors. J Comp-Aid Mol Design 15: 195-202.
-
(2001)
J Comp-Aid Mol Design
, vol.15
, pp. 195-202
-
-
Poso, A.1
Gynther, J.2
Juvonen, R.O.3
-
21
-
-
0034961307
-
Molecular modelling of 17α-hydroxylase-17,20-lyase
-
Schappach A, Höltje H.-D. (2001) Molecular modelling of 17α-hydroxylase-17,20-lyase. Pharmazie 56: 435-442.
-
(2001)
Pharmazie
, vol.56
, pp. 435-442
-
-
Schappach, A.1
Höltje, H.-D.2
-
22
-
-
0034088779
-
The catalytic pathway of cytochrome P450cam at atomic resolution
-
Schlichting I, Berendzen J, Chu K, Stock AM, Maves SA, Benson DE, Sweet RM, Ringe D, Petsko GA, Sligar SG (2000) The catalytic pathway of cytochrome P450cam at atomic resolution. Science 287: 1615-1622.
-
(2000)
Science
, vol.287
, pp. 1615-1622
-
-
Schlichting, I.1
Berendzen, J.2
Chu, K.3
Stock, A.M.4
Maves, S.A.5
Benson, D.E.6
Sweet, R.M.7
Ringe, D.8
Petsko, G.A.9
Sligar, S.G.10
-
23
-
-
17644416556
-
-
PhD Thesis, Düsseldorf
-
Stahl GR (2002) PhD Thesis, Düsseldorf.
-
(2002)
-
-
Stahl, G.R.1
-
24
-
-
0000437307
-
Time-dependent distance restraints in molecular dynamics simulations
-
Torda AE, Scheek RM, van Gunsteren WF (1989) Time-dependent distance restraints in molecular dynamics simulations. Chem Phys Lett 157: 289-294.
-
(1989)
Chem Phys Lett
, vol.157
, pp. 289-294
-
-
Torda, A.E.1
Scheek, R.M.2
Van Gunsteren, W.F.3
-
25
-
-
0003544049
-
-
Hochschulverlag AG an der ETH Zürich, Switzerland
-
van Gunsteren WF, Billeter SR, Eising AA, Hünenberger PH, Krüger P, Mark AE, Scott WRP, Tironi IG (1996) Biomolecular simulation: The GROMOS96 manual and user guide. Hochschulverlag AG an der ETH Zürich, Switzerland.
-
(1996)
Biomolecular Simulation: The GROMOS96 Manual and User Guide
-
-
Van Gunsteren, W.F.1
Billeter, S.R.2
Eising, A.A.3
Hünenberger, P.H.4
Krüger, P.5
Mark, A.E.6
Scott, W.R.P.7
Tironi, I.G.8
-
26
-
-
0033970047
-
Mammalian microsomal cytochrome P450 monooxygenase: Structural adaptions for membrane binding and functional diversity
-
Williams P, Cosme J, Sridhar V, Johnson E, McRee D (2000) Mammalian microsomal cytochrome P450 monooxygenase: Structural adaptions for membrane binding and functional diversity. Molecular Cell 5: 121-131.
-
(2000)
Molecular Cell
, vol.5
, pp. 121-131
-
-
Williams, P.1
Cosme, J.2
Sridhar, V.3
Johnson, E.4
McRee, D.5
-
27
-
-
0035840983
-
A theoretical study of the dynamic behaviour of alkane hydroxylation by compound I model of cytochrome P450
-
Yoshizawa K, Kamachi T, Shiota Y (2001) A theoretical study of the dynamic behaviour of alkane hydroxylation by Compound I model of cytochrome P450. J Am Chem Soc 123: 9806-9816.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 9806-9816
-
-
Yoshizawa, K.1
Kamachi, T.2
Shiota, Y.3
|