-
1
-
-
0036596887
-
Emerging bioinformatics for the metabolome
-
Mendes P. Emerging bioinformatics for the metabolome. Brief Bioinform. 3:2002;134-145.
-
(2002)
Brief Bioinform.
, vol.3
, pp. 134-145
-
-
Mendes, P.1
-
3
-
-
0030777303
-
CATH - A hierarchic classification of protein domain structures
-
Orengo C.A., Michie A.D., Jones S., Jones D.T., Swindells M.B., Thornton J.M. CATH - a hierarchic classification of protein domain structures. Structure. 5:1997;1093-1108.
-
(1997)
Structure
, vol.5
, pp. 1093-1108
-
-
Orengo, C.A.1
Michie, A.D.2
Jones, S.3
Jones, D.T.4
Swindells, M.B.5
Thornton, J.M.6
-
4
-
-
0036084625
-
SCOP database in 2002: Refinements accommodate structural genomics
-
Lo Conte L., Brenner S.E., Hubbard T.J., Chothia C., Murzin A.G. SCOP database in 2002: refinements accommodate structural genomics. Nucl. Acids Res. 30:2002;264-267.
-
(2002)
Nucl. Acids Res.
, vol.30
, pp. 264-267
-
-
Lo Conte, L.1
Brenner, S.E.2
Hubbard, T.J.3
Chothia, C.4
Murzin, A.G.5
-
5
-
-
0037246807
-
E-MSD: The European Bioinformatics Institute Macromolecular Structure Database
-
Boutselakis H., Dimitropoulos D., Fillon J., Golovin A., Henrick K., Hussain A., et al. E-MSD: the European Bioinformatics Institute Macromolecular Structure Database. Nucl. Acids Res. 31:2003;458-462.
-
(2003)
Nucl. Acids Res.
, vol.31
, pp. 458-462
-
-
Boutselakis, H.1
Dimitropoulos, D.2
Fillon, J.3
Golovin, A.4
Henrick, K.5
Hussain, A.6
-
6
-
-
0033954256
-
The Protein Data Bank
-
Berman H.M., Westbrook J., Feng Z., Gilliland G., Bhat T.N., Weissig H., et al. The Protein Data Bank. Nucl. Acids Res. 28:2000;235-242.
-
(2000)
Nucl. Acids Res.
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
-
8
-
-
0034265657
-
Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity
-
Xue L., Godden J.W., Bajorath J. Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity. J. Chem. Inf. Comput. Sci. 40:2000;1227-1234.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1227-1234
-
-
Xue, L.1
Godden, J.W.2
Bajorath, J.3
-
9
-
-
0003500631
-
-
Todeschini, R., Consonni, V., Mauri, A. & Pavan, M. (2003). Dragon Web 3.0: Program for the calculation of molecular descriptors. http://www.disat.unimib.it/chm/Dragon.htm.
-
(2003)
Dragon Web 3.0: Program for the Calculation of Molecular Descriptors
-
-
Todeschini, R.1
Consonni, V.2
Mauri, A.3
Pavan, M.4
-
10
-
-
0036663707
-
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
-
Raymond J.W., Willett P. Maximum common subgraph isomorphism algorithms for the matching of chemical structures. J. Comput. Aided Mol. Des. 16:2002;521-533.
-
(2002)
J. Comput. Aided Mol. Des.
, vol.16
, pp. 521-533
-
-
Raymond, J.W.1
Willett, P.2
-
11
-
-
0035498342
-
The relationship between the sequence identities of alpha helical proteins in the PDB and the molecular similarities of their ligands
-
Mitchell J.B. The relationship between the sequence identities of alpha helical proteins in the PDB and the molecular similarities of their ligands. J. Chem. Inf. Comput. Sci. 41:2001;1617-1622.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1617-1622
-
-
Mitchell, J.B.1
-
12
-
-
0034609833
-
Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
-
Ertl P., Rohde B., Selzer P. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J. Med. Chem. 43:2000;3714-3717.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3714-3717
-
-
Ertl, P.1
Rohde, B.2
Selzer, P.3
-
13
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advan. Drug Deliv. Rev. 23:1997;3-25.
-
(1997)
Advan. Drug Deliv. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
14
-
-
0034786143
-
BioLayout - An automatic graph layout algorithm for similarity visualization
-
Enright A.J., Ouzounis C.A. BioLayout - an automatic graph layout algorithm for similarity visualization. Bioinformatics. 17:2001;853-854.
-
(2001)
Bioinformatics
, vol.17
, pp. 853-854
-
-
Enright, A.J.1
Ouzounis, C.A.2
-
15
-
-
0029787639
-
A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: Structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 Å resolution
-
Hara T., Kato H., Katsube Y., Oda J. A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 Å resolution. Biochemistry. 35:1996;11967-11974.
-
(1996)
Biochemistry
, vol.35
, pp. 11967-11974
-
-
Hara, T.1
Kato, H.2
Katsube, Y.3
Oda, J.4
-
16
-
-
0033534173
-
The small subunit of carbamoyl phosphate synthetase: Snapshots along the reaction pathway
-
Thoden J.B., Huang X., Raushel F.M., Holden H.M. The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway. Biochemistry. 38:1999;16158-16166.
-
(1999)
Biochemistry
, vol.38
, pp. 16158-16166
-
-
Thoden, J.B.1
Huang, X.2
Raushel, F.M.3
Holden, H.M.4
-
17
-
-
0034635193
-
ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by X-ray crystallography
-
Joyce M.A., Fraser M.E., James M.N., Bridger W.A., Wolodko W.T. ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by X-ray crystallography. Biochemistry. 39:2000;17-25.
-
(2000)
Biochemistry
, vol.39
, pp. 17-25
-
-
Joyce, M.A.1
Fraser, M.E.2
James, M.N.3
Bridger, W.A.4
Wolodko, W.T.5
-
18
-
-
0035224943
-
A functional update of the Escherichia coli K-12 genome
-
RESEARCH0035.1-RESEARCH0035.7
-
Serres M.H., Gopal S., Nahum L.A., Liang P., Gaasterland T., Riley M. A functional update of the Escherichia coli K-12 genome. Genome Biol. 2:2001;. RESEARCH0035.1-RESEARCH0035.7.
-
(2001)
Genome Biol.
, vol.2
-
-
Serres, M.H.1
Gopal, S.2
Nahum, L.A.3
Liang, P.4
Gaasterland, T.5
Riley, M.6
-
19
-
-
0036073134
-
Comparison of the small molecule metabolic enzymes of Escherichia coli and Saccharomyces cerevisiae
-
Jardine O., Gough J., Chothia C., Teichmann S.A. Comparison of the small molecule metabolic enzymes of Escherichia coli and Saccharomyces cerevisiae. Genome Res. 12:2002;916-929.
-
(2002)
Genome Res.
, vol.12
, pp. 916-929
-
-
Jardine, O.1
Gough, J.2
Chothia, C.3
Teichmann, S.A.4
-
20
-
-
0037350415
-
The phylogenetic extent of metabolic enzymes and pathways
-
Peregrin-Alvarez J.M., Tsoka S., Ouzounis C.A. The phylogenetic extent of metabolic enzymes and pathways. Genome Res. 13:2003;422-427.
-
(2003)
Genome Res.
, vol.13
, pp. 422-427
-
-
Peregrin-Alvarez, J.M.1
Tsoka, S.2
Ouzounis, C.A.3
-
21
-
-
0033153344
-
Boundaries for an RNA world
-
Yarus M. Boundaries for an RNA world. Curr. Opin. Chem. Biol. 3:1999;260-267.
-
(1999)
Curr. Opin. Chem. Biol.
, vol.3
, pp. 260-267
-
-
Yarus, M.1
-
22
-
-
0037373214
-
Metabolome diversity: Too few genes, too many metabolites?
-
Schwab W. Metabolome diversity: too few genes, too many metabolites? Phytochemistry. 62:2003;837-849.
-
(2003)
Phytochemistry
, vol.62
, pp. 837-849
-
-
Schwab, W.1
-
23
-
-
0037396292
-
Enzymes with extra talents: Moonlighting functions and catalytic promiscuity
-
Copley S.D. Enzymes with extra talents: moonlighting functions and catalytic promiscuity. Curr. Opin. Chem. Biol. 7:2003;265-272.
-
(2003)
Curr. Opin. Chem. Biol.
, vol.7
, pp. 265-272
-
-
Copley, S.D.1
-
24
-
-
0033117461
-
Catalytic promiscuity and the evolution of new enzymatic activities
-
O'Brien P.J., Herschlag D. Catalytic promiscuity and the evolution of new enzymatic activities. Chem. Biol. 6:1999;R91-R105.
-
(1999)
Chem. Biol.
, vol.6
-
-
O'brien, P.J.1
Herschlag, D.2
-
25
-
-
0036081122
-
LIGAND: Database of chemical compounds and reactions in biological pathways
-
Goto S., Okuno Y., Hattori M., Nishioka T., Kanehisa M. LIGAND: database of chemical compounds and reactions in biological pathways. Nucl. Acids Res. 30:2002;402-404.
-
(2002)
Nucl. Acids Res.
, vol.30
, pp. 402-404
-
-
Goto, S.1
Okuno, Y.2
Hattori, M.3
Nishioka, T.4
Kanehisa, M.5
-
26
-
-
0028336046
-
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
-
Ihlenfeldt W.D., Takahashi Y., Abe H., Sasaki S. Computation and management of chemical properties in CACTVS: an extensible networked approach toward modularity and compatibility. J. Chem. Inf. Comput. Sci. 34:1994;109-116.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 109-116
-
-
Ihlenfeldt, W.D.1
Takahashi, Y.2
Abe, H.3
Sasaki, S.4
-
27
-
-
85030949380
-
Common subgraph isomorphism detection by backtracking search
-
In the press
-
Krissinel, E. & Henrick, K. (2003). Common subgraph isomorphism detection by backtracking search. Software-Practice Experience. In the press.
-
(2003)
Software-Practice Experience
-
-
Krissinel, E.1
Henrick, K.2
-
28
-
-
0016870630
-
An algorithm for subgraph isomorphism
-
Ullmann J.R. An algorithm for subgraph isomorphism. J. ACM. 23:1976;31-42.
-
(1976)
J. ACM
, vol.23
, pp. 31-42
-
-
Ullmann, J.R.1
|