-
1
-
-
0033757840
-
From structure to function: Approaches and limitations
-
Thornton JM, Todd AE, Milburn D, Borkakoti N, Orengo CA. From structure to function: approaches and limitations. Nat Struct Biol 2000;7 Suppl:991-994.
-
(2000)
Nat Struct Biol
, vol.7
, Issue.SUPPL.
, pp. 991-994
-
-
Thornton, J.M.1
Todd, A.E.2
Milburn, D.3
Borkakoti, N.4
Orengo, C.A.5
-
2
-
-
1042275611
-
Structural proteomics: A tool for genome annotation
-
Yakunin AF, Yee AA, Savchenko A, Edwards AM, Arrowsmith CH. Structural proteomics: a tool for genome annotation. Curr Opin Chem Biol 2003;8:42-48.
-
(2003)
Curr Opin Chem Biol
, vol.8
, pp. 42-48
-
-
Yakunin, A.F.1
Yee, A.A.2
Savchenko, A.3
Edwards, A.M.4
Arrowsmith, C.H.5
-
3
-
-
0242355016
-
Structural-based functional inference in structural genomics
-
Kim SH, Shin DH, Choi IG, Schulze-Gahmen U, Chen S, Kim R. Structural-based functional inference in structural genomics. J Struct Funct Genomics 2003;4:129-135.
-
(2003)
J Struct Funct Genomics
, vol.4
, pp. 129-135
-
-
Kim, S.H.1
Shin, D.H.2
Choi, I.G.3
Schulze-Gahmen, U.4
Chen, S.5
Kim, R.6
-
7
-
-
0020491251
-
A geometric approach to macromolecule-ligand interactions
-
Kuntz ID, Blaney JM, Oatley SJ, Langridge R, Ferrin TE. A geometric approach to macromolecule-ligand interactions. J Mol Biol 1982;161:269-288.
-
(1982)
J Mol Biol
, vol.161
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
8
-
-
0026787207
-
Finding and filling protein cavities using cellular logic operations
-
Delaney JS. Finding and filling protein cavities using cellular logic operations. J Mol Graphics 1992;10:174-177.
-
(1992)
J Mol Graphics
, vol.10
, pp. 174-177
-
-
Delaney, J.S.1
-
9
-
-
0027053611
-
POCKET: A computer graphics method for identifying and displaying protein cavities and their surrounding amino acids
-
Levitt DG, Banaszak LJ. POCKET: a computer graphics method for identifying and displaying protein cavities and their surrounding amino acids. J Mol Graph 1992;10:229-234.
-
(1992)
J Mol Graph
, vol.10
, pp. 229-234
-
-
Levitt, D.G.1
Banaszak, L.J.2
-
10
-
-
0028881975
-
SURFNET: A program for visualising molecular surfaces, cavities, and intermolecular interactions
-
Laskowski RA. SURFNET: a program for visualising molecular surfaces, cavities, and intermolecular interactions. J Mol Graph 1995;13:323-330.
-
(1995)
J Mol Graph
, vol.13
, pp. 323-330
-
-
Laskowski, R.A.1
-
11
-
-
0029550088
-
Detection and geometric modeling of molecular surfaces and cavities using digital mathematical morphological operations
-
Masuya M, Doi J. Detection and geometric modeling of molecular surfaces and cavities using digital mathematical morphological operations. J Mol Graph 1995;13:331-336.
-
(1995)
J Mol Graph
, vol.13
, pp. 331-336
-
-
Masuya, M.1
Doi, J.2
-
12
-
-
0029935202
-
The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria
-
Peters KP, Fauck J, Frommel C. The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria. J Mol Biol 1996;256:201-213.
-
(1996)
J Mol Biol
, vol.256
, pp. 201-213
-
-
Peters, K.P.1
Fauck, J.2
Frommel, C.3
-
13
-
-
0030979125
-
Automatic identification and representation of protein binding sites for molecular docking
-
Ruppert J, Welch W, Jain AN. Automatic identification and representation of protein binding sites for molecular docking. Protein Sci 1997;6:524-533.
-
(1997)
Protein Sci
, vol.6
, pp. 524-533
-
-
Ruppert, J.1
Welch, W.2
Jain, A.N.3
-
14
-
-
0031370977
-
LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins
-
Hendlich M, Rippmann F, Barnickel G. LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins. J Mol Graph Model 1997;15:359-363.
-
(1997)
J Mol Graph Model
, vol.15
, pp. 359-363
-
-
Hendlich, M.1
Rippmann, F.2
Barnickel, G.3
-
15
-
-
0031687653
-
Anatomy of protein pockets and cavities: Measurement of binding site geometry and implication for ligand design
-
Liang J, Edelsbrunner H, Woodward C. Anatomy of protein pockets and cavities: measurement of binding site geometry and implication for ligand design. Protein Sci 1998;7:1884-1897.
-
(1998)
Protein Sci
, vol.7
, pp. 1884-1897
-
-
Liang, J.1
Edelsbrunner, H.2
Woodward, C.3
-
16
-
-
0342424187
-
Fast prediction and visualization of protein binding pockets with PASS
-
Brady P, Stouten PFW. Fast prediction and visualization of protein binding pockets with PASS. J Comput Aided Mol Des 2000; 14:383-401.
-
(2000)
J Comput Aided Mol Des
, vol.14
, pp. 383-401
-
-
Brady, P.1
Stouten, P.F.W.2
-
17
-
-
0037212102
-
LigandFit: A novel method for the shape-directed rapid docking of ligands to protein active sites
-
Venkatachalam CM, Jiang X, Oldfield T, Waldman M. LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites. J Mol Graph Model 2003;21:289-307.
-
(2003)
J Mol Graph Model
, vol.21
, pp. 289-307
-
-
Venkatachalam, C.M.1
Jiang, X.2
Oldfield, T.3
Waldman, M.4
-
18
-
-
18744394070
-
Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites
-
Laurie ATR, Jackson RM. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites. Bioinformatics 2005;21:1908-1916.
-
(2005)
Bioinformatics
, vol.21
, pp. 1908-1916
-
-
Laurie, A.T.R.1
Jackson, R.M.2
-
20
-
-
0042890523
-
Inferring functional relationships of proteins from local sequence and spatial surface patterns
-
Binkowski TA, Adamian L, Liang J. Inferring functional relationships of proteins from local sequence and spatial surface patterns. J Mol Biol 2003;332:505-526.
-
(2003)
J Mol Biol
, vol.332
, pp. 505-526
-
-
Binkowski, T.A.1
Adamian, L.2
Liang, J.3
-
22
-
-
0042674397
-
Using a neural network and spatial clustering to predict the location of active sites in enzymes
-
Gutteridge A, Bartlett GJ, Thornton JM. Using a neural network and spatial clustering to predict the location of active sites in enzymes. J Mol Biol 2003;330:719-734.
-
(2003)
J Mol Biol
, vol.330
, pp. 719-734
-
-
Gutteridge, A.1
Bartlett, G.J.2
Thornton, J.M.3
-
23
-
-
0344405703
-
Prediction of catalytic residues in enzymes based on known tertiary structure, stability profile, and sequence conservation
-
Ota M, Kinoshita K, Nishikawa K. Prediction of catalytic residues in enzymes based on known tertiary structure, stability profile, and sequence conservation. J Mol Biol 2003;327:1053-1064.
-
(2003)
J Mol Biol
, vol.327
, pp. 1053-1064
-
-
Ota, M.1
Kinoshita, K.2
Nishikawa, K.3
-
24
-
-
0036406643
-
A new method to detect related function among proteins independent of sequence and fold homology
-
Schmitt S, Kuhn D, Klebe G. A new method to detect related function among proteins independent of sequence and fold homology. J Mol Biol 2002;323:387-406.
-
(2002)
J Mol Biol
, vol.323
, pp. 387-406
-
-
Schmitt, S.1
Kuhn, D.2
Klebe, G.3
-
25
-
-
0000538815
-
Analytical molecular surface calculation
-
Connolly ML. Analytical molecular surface calculation. J Appl Crystallogr 1983;16:548-558.
-
(1983)
J Appl Crystallogr
, vol.16
, pp. 548-558
-
-
Connolly, M.L.1
-
26
-
-
0021107965
-
Solvent-accessible surfaces of proteins and nucleic acids
-
Connolly ML. Solvent-accessible surfaces of proteins and nucleic acids. Science 1983;221:709-713.
-
(1983)
Science
, vol.221
, pp. 709-713
-
-
Connolly, M.L.1
-
27
-
-
34250857135
-
-
O'Rourke . Computational geometry in C. Cambridge: Cambridge University Press; 1994. 101p.
-
O'Rourke . Computational geometry in C. Cambridge: Cambridge University Press; 1994. 101p.
-
-
-
-
28
-
-
0029014096
-
Algorithms for evaluating the long-range accessibility of protein surfaces
-
Yeates TO. Algorithms for evaluating the long-range accessibility of protein surfaces. J Mol Biol 1995;249:804-815.
-
(1995)
J Mol Biol
, vol.249
, pp. 804-815
-
-
Yeates, T.O.1
-
29
-
-
0017187836
-
The Nature of the accessible and buried surfaces in proteins
-
Chothia C. The Nature of the accessible and buried surfaces in proteins. J Mol Biol 1976;105:1-14.
-
(1976)
J Mol Biol
, vol.105
, pp. 1-14
-
-
Chothia, C.1
-
30
-
-
0346494941
-
-
Andreeva A, Howorth D, Brenner SE, Hubbard TJP, Chothia C, Murzin AG. SCOP database in 2004: refinements integrate structure and sequence family data. Nucleic Acids Res 2004;32 (Database Issue):D226-D229.
-
Andreeva A, Howorth D, Brenner SE, Hubbard TJP, Chothia C, Murzin AG. SCOP database in 2004: refinements integrate structure and sequence family data. Nucleic Acids Res 2004;32 (Database Issue):D226-D229.
-
-
-
|