-
1
-
-
0036181693
-
Crystal structure of the copper-containing quercetin 2-3-dioxygenase from Aspergillus japonicus
-
Fusetti F, Schröter KH, Steiner RA, van Noort PI, Pijning T, Rozboom HJ, et al. Crystal structure of the copper-containing quercetin 2-3-dioxygenase from Aspergillus japonicus. Structure 2002;10:259-268.
-
(2002)
Structure
, vol.10
, pp. 259-268
-
-
Fusetti, F.1
Schröter, K.H.2
Steiner, R.A.3
Van Noort, P.I.4
Pijning, T.5
Rozboom, H.J.6
-
2
-
-
0034096459
-
Microbial relatives of the seed storage proteins of higher plants: Conservation of structure and diversification of function during evolution of the cupin superfamily
-
Dunwell JM, Khuri S, Gane PJ. Microbial relatives of the seed storage proteins of higher plants: conservation of structure and diversification of function during evolution of the cupin superfamily. Microbiol Mol Biol Rev 2000;64:153-179.
-
(2000)
Microbiol Mol Biol Rev
, vol.64
, pp. 153-179
-
-
Dunwell, J.M.1
Khuri, S.2
Gane, P.J.3
-
3
-
-
0033179484
-
Flavonol 2,4-dioxygenase from Aspergillus niger DSM 821, a type 2 CuII-containing glycoprotein
-
Hund HK, Breuer J, Lingens F, Huttermann J, Kappl R, Fetzner S. Flavonol 2,4-dioxygenase from Aspergillus niger DSM 821, a type 2 CuII-containing glycoprotein. Eur J Biochem 1999;263:871-878.
-
(1999)
Eur J Biochem
, vol.263
, pp. 871-878
-
-
Hund, H.K.1
Breuer, J.2
Lingens, F.3
Huttermann, J.4
Kappl, R.5
Fetzner, S.6
-
4
-
-
0037168426
-
Anaerobic enzyme-substrate structures provide insight into the reaction mechanism of the copperdependent quercetin 2,3-dioxygenase
-
Steiner RA, Kalk KH, Dijkstra BW. Anaerobic enzyme-substrate structures provide insight into the reaction mechanism of the copperdependent quercetin 2,3-dioxygenase. Proc Natl Acad Sci 2002;99:16625-16630.
-
(2002)
Proc Natl Acad Sci
, vol.99
, pp. 16625-16630
-
-
Steiner, R.A.1
Kalk, K.H.2
Dijkstra, B.W.3
-
5
-
-
0036311113
-
2] [FlaH = flavonol; L = 1,10-phenanthroline (Phen), 2,2′-bipyridine (Bpy), N,N,N′,N′-Tetramethylethylenediamine (TMEDA)] Complexes
-
2] [FlaH = flavonol; L = 1,10-phenanthroline (Phen), 2,2′-bipyridine (Bpy), N,N,N′,N′-Tetramethylethylenediamine (TMEDA)] Complexes. Eur J Biochem 2002;12:2971
-
(2002)
Eur J Biochem
, vol.12
, pp. 2971
-
-
Kooter, I.M.1
Steiner, R.A.2
Dijkstra, B.W.3
Van Noort, P.I.4
Egmond, M.R.5
Huber, M.6
-
7
-
-
9644281121
-
Oxygenolysis of flavonoid compounds. DFT description of the mechanism for the quercetin case
-
Fiorucci S, Golebiowski J, Cabrol-Bass D, Antonczak S. Oxygenolysis of flavonoid compounds. DFT description of the mechanism for the quercetin case. ChemPhysChem 2004;5:1726-1733.
-
(2004)
ChemPhysChem
, vol.5
, pp. 1726-1733
-
-
Fiorucci, S.1
Golebiowski, J.2
Cabrol-Bass, D.3
Antonczak, S.4
-
8
-
-
4644364662
-
Hybrid DFT study of the mechanism of quercetin 2,3-dioxygenase
-
Siegbahn PEM. Hybrid DFT study of the mechanism of quercetin 2,3-dioxygenase. Inorg Chem 2004;43:5944-5953.
-
(2004)
Inorg Chem
, vol.43
, pp. 5944-5953
-
-
Siegbahn, P.E.M.1
-
10
-
-
15544381165
-
Molecular dynamics simulations of the adipocyte lipid binding protein reveal a novel entry site for the ligand
-
Friedman R, Nachliel E, Gutman M. Molecular dynamics simulations of the adipocyte lipid binding protein reveal a novel entry site for the ligand. Biochemistry 2005;44:4275-4283.
-
(2005)
Biochemistry
, vol.44
, pp. 4275-4283
-
-
Friedman, R.1
Nachliel, E.2
Gutman, M.3
-
11
-
-
0029633186
-
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
-
Pearlman DA, Case DA, Caldwell JW, Ross R, Cheatham III TE, DeBolt S, Ferguson D, et al. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules. Comput Phys Commun 1995;91:1-41.
-
(1995)
Comput Phys Commun
, vol.91
, pp. 1-41
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, R.4
Cheatham III, T.E.5
DeBolt, S.6
Ferguson, D.7
-
12
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke AD. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys Rev A 1988;38:3098-3100.
-
(1988)
Phys Rev A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
13
-
-
0000189651
-
Density-functional thermochemistry. III. The role of the exact exchange
-
Becke AD. Density-functional thermochemistry. III. The role of the exact exchange. J Chem Phys 1993;98:5648-5652.
-
(1993)
J Chem Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
14
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C, Yang W, Parr RG. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B 1988;37:785-789.
-
(1988)
Phys Rev B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
15
-
-
36849115659
-
Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules
-
Ditchfield R, Hehre WJ, Pople JA. Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules. J Chem Phys 1971;54:724-728.
-
(1971)
J Chem Phys
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
16
-
-
33748545144
-
The influence of polirazation functions on molecular orbital hydrogenation energies
-
Hariharan PC, Pople JA. The influence of polirazation functions on molecular orbital hydrogenation energies. Theoret Chimica Acta 1973;28:213-222.
-
(1973)
Theoret Chimica Acta
, vol.28
, pp. 213-222
-
-
Hariharan, P.C.1
Pople, J.A.2
-
17
-
-
84986468715
-
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F
-
Clark T, Chandrasekhar J, Schleyer PvR. Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F. J Comp Chem 1983;4:294-301.
-
(1983)
J Comp Chem
, vol.4
, pp. 294-301
-
-
Clark, T.1
Chandrasekhar, J.2
Schleyer, Pv.R.3
-
18
-
-
26844534384
-
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
-
Krishnam R, Binkley JS, Seeger R, Pople JA. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions. J Chem Phys 1980;72:650-654.
-
(1980)
J Chem Phys
, vol.72
, pp. 650-654
-
-
Krishnam, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
19
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, et al. Gaussian 98, Revision A.7. Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
-
20
-
-
0033180952
-
Protein strain in blue copper proteins studied by free energy perturbations
-
De Kerpel JOA, Ryde U. Protein strain in blue copper proteins studied by free energy perturbations. Proteins 1999;36:157-174.
-
(1999)
Proteins
, vol.36
, pp. 157-174
-
-
De Kerpel, J.O.A.1
Ryde, U.2
-
21
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen WL, Maxwell DS, Tirado-Rives J. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc 1996;118:11225-11236.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
22
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
-
Kumar S, Bouzida D, Swendsen RH, Kollman PA, Rosenberg JM. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J Comput Chem 1992;13:1011-1021.
-
(1992)
J Comput Chem
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
23
-
-
0029633155
-
The calculation of the potential of mean force using computer simulations
-
Roux B. The calculation of the potential of mean force using computer simulations. Comput Phys Commun 1995;91:275-282.
-
(1995)
Comput Phys Commun
, vol.91
, pp. 275-282
-
-
Roux, B.1
-
24
-
-
0025600834
-
Enhanced sampling in molecular dynamics: Use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin
-
Elber R, Karplus M. Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin J Am Chem Soc 1990;112:9161-9175.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 9161-9175
-
-
Elber, R.1
Karplus, M.2
-
25
-
-
14244271781
-
RNA solvation: A molecular dynamics simulation perspective
-
Auffinger P, Westhof E. RNA solvation: a molecular dynamics simulation perspective. Biopolymers 2001;56:266-274.
-
(2001)
Biopolymers
, vol.56
, pp. 266-274
-
-
Auffinger, P.1
Westhof, E.2
-
26
-
-
14244271476
-
Molecular dynamics simulation of nucleic acids: Successes, limitations, and promise
-
Cheatham III TE, Young MA. Molecular dynamics simulation of nucleic acids: successes, limitations, and promise. Biopolymers 2001;56:232-256.
-
(2001)
Biopolymers
, vol.56
, pp. 232-256
-
-
Cheatham III, T.E.1
Young, M.A.2
|