-
1
-
-
0033930882
-
BIND - A data specification for storing and describing biomolecular interactions, molecular complexes and pathways
-
Bader,G.D. and Hogue,C.W.V. (2000) BIND - a data specification for storing and describing biomolecular interactions, molecular complexes and pathways. Bioinformatics, 16, 465-477.
-
(2000)
Bioinformatics
, vol.16
, pp. 465-477
-
-
Bader, G.D.1
Hogue, C.W.V.2
-
2
-
-
0001750717
-
New approach to molecular docking and its application to virtual screening of chemical databases
-
Baxter,C.A., Murray,C.W., Waszkowycz,B., Li,J., Sykes,R.A., Bone,R.G.A., Perkins,T.D.J. and Wylie,W. (2000) New approach to molecular docking and its application to virtual screening of chemical databases. J. Chem. Inf. Comput. Sci., 40, 254-262.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 254-262
-
-
Baxter, C.A.1
Murray, C.W.2
Waszkowycz, B.3
Li, J.4
Sykes, R.A.5
Bone, R.G.A.6
Perkins, T.D.J.7
Wylie, W.8
-
3
-
-
0033954256
-
The Protein Data Bank
-
Berman,H.M., Westbrook,J., Feng,Z., Gilliland,G., Bhat,T.N., Weissig,H., Shindyalov,I.N. and Bourne,P.E. (2000) The Protein Data Bank. Nucleic Acids Res., 28, 235-242.
-
(2000)
Nucleic 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
Shindyalov, I.N.7
Bourne, P.E.8
-
4
-
-
0028454828
-
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
-
Bohm,H.J. (1994) The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J. Comput. Aided Mol. Des., 8, 243-256.
-
(1994)
J. Comput. Aided Mol. Des.
, vol.8
, pp. 243-256
-
-
Bohm, H.J.1
-
5
-
-
0036169718
-
The Binding Database: Data management and interface design
-
Chen,X., Lin,Y., Liu,M. and Gilson,M.K. (2002) The Binding Database: data management and interface design. Bioinformatics, 18, 130-139.
-
(2002)
Bioinformatics
, vol.18
, pp. 130-139
-
-
Chen, X.1
Lin, Y.2
Liu, M.3
Gilson, M.K.4
-
6
-
-
0034645763
-
Knowledge-based scoring function to predict protein-ligand interactions
-
Gohlke,H., Hendlich,M. and Klebe,G. (2000) Knowledge-based scoring function to predict protein-ligand interactions. J. Mol. Biol., 295, 337-356.
-
(2000)
J. Mol. Biol.
, vol.295
, pp. 337-356
-
-
Gohlke, H.1
Hendlich, M.2
Klebe, G.3
-
7
-
-
0037142298
-
SMall Molecule Growth 2001 (SMoG2001): An improved knowledge-based scoring function for protein-ligand interactions
-
Ishchenko,A.V. and Shakhnovich,E.I. (2002) SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J. Med. Chem., 45, 2770-2780.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2770-2780
-
-
Ishchenko, A.V.1
Shakhnovich, E.I.2
-
8
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones,G., Willett,P., Glen,R.C., Leach,A.R. and Taylor,R. (1997) Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol., 267, 727-748.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
9
-
-
0035498342
-
The relationship between the sequence identities of alpha helical proteins in the PDB and the molecular similarities of their ligands
-
Mitchell,J.B.O. (2001) 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, 1617-1622.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1617-1622
-
-
Mitchell, J.B.O.1
-
10
-
-
0000823044
-
BLEEP - Potential of mean force describing protein-ligand interactions: I. Generating potential
-
Mitchell,J.B.O., Laskowski,R.A., Alex,A. and Thornton,J.M. (1999a) BLEEP - potential of mean force describing protein-ligand interactions: I. Generating potential. J. Comp. Chem., 20, 1165-1176.
-
(1999)
J. Comp. Chem.
, vol.20
, pp. 1165-1176
-
-
Mitchell, J.B.O.1
Laskowski, R.A.2
Alex, A.3
Thornton, J.M.4
-
11
-
-
0000882405
-
BLEEP - Potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data
-
Mitchell,J.B.O., Laskowski,R.A., Alex,A., Forster,M.J. and Thornton,J.M. (1999b) BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data. J. Comp. Chem., 20, 1177-1185.
-
(1999)
J. Comp. Chem.
, vol.20
, pp. 1177-1185
-
-
Mitchell, J.B.O.1
Laskowski, R.A.2
Alex, A.3
Forster, M.J.4
Thornton, J.M.5
-
12
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris,G.M., Goodsell,D.S., Halliday,R.S., Huey,R., Hart,W.E., Belew,R.K. and Olson,A.J. (1998) Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comp. Chem., 19, 1639-1662.
-
(1998)
J. Comp. Chem.
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
13
-
-
0033545622
-
A general and fast scoring function for protein-ligand interactions: A simplified potential approach
-
Muegge,I. and Martin,Y.C. (1999) A general and fast scoring function for protein-ligand interactions: a simplified potential approach. J. Med. Chem., 42, 791-804.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 791-804
-
-
Muegge, I.1
Martin, Y.C.2
-
14
-
-
0035950051
-
Ligand-Protein DataBase: Linking protein-ligand complex structures to Binding Data
-
Roche,O., Kiyama,R. and Brooks,C.L. (2001) Ligand-Protein DataBase: linking protein-ligand complex structures to Binding Data. J. Med. Chem., 44, 3592-3598.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 3592-3598
-
-
Roche, O.1
Kiyama, R.2
Brooks, C.L.3
-
15
-
-
0027968068
-
CLUSTAL W: Improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
-
Thompson,J.D., Higgins,D.G. and Gibson,T.J. (1994) CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res., 22, 4673-4680.
-
(1994)
Nucleic Acids Res.
, vol.22
, pp. 4673-4680
-
-
Thompson, J.D.1
Higgins, D.G.2
Gibson, T.J.3
-
16
-
-
0036088133
-
DIP, the Database of Interacting Proteins: A research tool for studying cellular networks of protein interactions
-
Xenarios,I., Salwinski,L., Duan,X.J., Higney,P., Kim,S-M. and Eisenberg,D. (2002) DIP, the Database of Interacting Proteins: a research tool for studying cellular networks of protein interactions. Nucleic Acids Res., 30, 303-305.
-
(2002)
Nucleic Acids Res.
, vol.30
, pp. 303-305
-
-
Xenarios, I.1
Salwinski, L.2
Duan, X.J.3
Higney, P.4
Kim, S.-M.5
Eisenberg, D.6
-
17
-
-
0031552370
-
Determination of atomic desolvation energies from the structures of crystallized proteins
-
Zhang,C., Vasmatzis,G., Cornette,J.L. and DeLisi,C. (1997) Determination of atomic desolvation energies from the structures of crystallized proteins. J. Mol. Biol., 267, 707-726.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 707-726
-
-
Zhang, C.1
Vasmatzis, G.2
Cornette, J.L.3
DeLisi, C.4
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