-
1
-
-
34248155322
-
Function prediction of uncharacterized proteins
-
Hawkins T, Kihara D. Function prediction of uncharacterized proteins. J Bioinform Comput Biol 2007; 5: 1-30.
-
(2007)
J Bioinform Comput Biol
, vol.5
, pp. 1-30
-
-
Hawkins, T.1
Kihara, D.2
-
2
-
-
39449130713
-
New paradigm in protein function prediction for large scale omics analysis
-
Hawkins T, Chitale M. New paradigm in protein function prediction for large scale omics analysis. Mol Biosyst 2008; 4: 223-231.
-
(2008)
Mol Biosyst
, vol.4
, pp. 223-231
-
-
Hawkins, T.1
Chitale, M.2
-
4
-
-
20444456581
-
Automatic annotation of protein function
-
Valencia A. Automatic annotation of protein function. Curr Opin Struct Biol 2005; 15: 267-274.
-
(2005)
Curr Opin Struct Biol
, vol.15
, pp. 267-274
-
-
Valencia, A.1
-
6
-
-
80053616625
-
Computational protein function prediction: framework and challenges
-
Springer;
-
Chitale M, Kihara D. Computational protein function prediction: framework and challenges. In: Protein function prediction for omics era. Springer; 2011. pp 1-17.
-
(2011)
Protein function prediction for omics era
, pp. 1-17
-
-
Chitale, M.1
Kihara, D.2
-
7
-
-
31144467558
-
The impact of structural genomics: expectations and outcomes
-
Chandonia J-M, Brenner SE. The impact of structural genomics: expectations and outcomes. Science 2006; 311: 347-351.
-
(2006)
Science
, vol.311
, pp. 347-351
-
-
Chandonia, J.-M.1
Brenner, S.E.2
-
8
-
-
0033954256
-
The protein data bank
-
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The protein data bank. Nucleic Acids Res 2000; 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
-
9
-
-
19544385813
-
Structural proteomics: inferring function from protein structure
-
Wild DL, Saqi MAS. Structural proteomics: inferring function from protein structure. Curr Proteomics 2004; 1: 59-65.
-
(2004)
Curr Proteomics
, vol.1
, pp. 59-65
-
-
Wild, D.L.1
Saqi, M.A.S.2
-
10
-
-
19344377263
-
Identifying protein function-a call for community action
-
Roberts RJ. Identifying protein function-a call for community action. PLoS Biol 2004; 2: e42.
-
(2004)
PLoS Biol
, vol.2
-
-
Roberts, R.J.1
-
11
-
-
79953223716
-
COMBREX: computational bridge to experiments
-
Roberts RJ. COMBREX: computational bridge to experiments. Biochem Soc Trans 2011; 39: 581-583.
-
(2011)
Biochem Soc Trans
, vol.39
, pp. 581-583
-
-
Roberts, R.J.1
-
12
-
-
75849158230
-
The gene ontology in 2010: extensions and refinements
-
Gene Ontology Consortium
-
Gene Ontology Consortium. The gene ontology in 2010: extensions and refinements. Nucleic Acids Res 2010; 38: D331-D335.
-
(2010)
Nucleic Acids Res
, vol.38
-
-
-
13
-
-
33750570460
-
Computational protein design: a novel path to future protein drugs
-
Rosenberg M, Goldblum A. Computational protein design: a novel path to future protein drugs. Curr Pharm Des 2006; 12: 3973-3997.
-
(2006)
Curr Pharm Des
, vol.12
, pp. 3973-3997
-
-
Rosenberg, M.1
Goldblum, A.2
-
15
-
-
67449108422
-
FINDSITE: a combined evolution/structure-based approach to protein function prediction
-
Skolnick J, Brylinski M. FINDSITE: a combined evolution/structure-based approach to protein function prediction. Brief Bioinform 2009; 10: 378-391.
-
(2009)
Brief Bioinform
, vol.10
, pp. 378-391
-
-
Skolnick, J.1
Brylinski, M.2
-
17
-
-
0345864027
-
The catalytic site atlas: a resource of catalytic sites and residues identified in enzymes using structural data
-
Porter CT, Bartlett GJ, Thornton JM. The catalytic site atlas: a resource of catalytic sites and residues identified in enzymes using structural data. Nucleic Acids Res 2004; 32: D129-D133.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Porter, C.T.1
Bartlett, G.J.2
Thornton, J.M.3
-
18
-
-
2442677781
-
Large-scale assessment of the utility of low-resolution protein structures for biochemical function assignment
-
Arakaki AK, Zhang Y, Skolnick J. Large-scale assessment of the utility of low-resolution protein structures for biochemical function assignment. Bioinformatics 2004; 20: 1087-1096.
-
(2004)
Bioinformatics
, vol.20
, pp. 1087-1096
-
-
Arakaki, A.K.1
Zhang, Y.2
Skolnick, J.3
-
20
-
-
29444457054
-
Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships
-
Gold ND, Jackson RM. Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships. J Mol Biol 2006; 355: 1112-1124.
-
(2006)
J Mol Biol
, vol.355
, pp. 1112-1124
-
-
Gold, N.D.1
Jackson, R.M.2
-
21
-
-
33645465515
-
The multiple common point set problem and its application to molecule binding pattern detection
-
Shatsky M, Shulman-Peleg A, Nussinov R, Wolfson HJ. The multiple common point set problem and its application to molecule binding pattern detection. J Comput Biol 2006; 13: 407-428.
-
(2006)
J Comput Biol
, vol.13
, pp. 407-428
-
-
Shatsky, M.1
Shulman-Peleg, A.2
Nussinov, R.3
Wolfson, H.J.4
-
22
-
-
77950423796
-
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
-
Hoffmann B, Zaslavskiy M, Vert J-P, Stoven V. A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction. BMC Bioinformatics 2010; 11: 99.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 99
-
-
Hoffmann, B.1
Zaslavskiy, M.2
Vert, J.-P.3
Stoven, V.4
-
23
-
-
84862297227
-
Protein surface representation and comparison: new approaches in structural proteomics
-
Chen J, Lonardi S. editors. Chapman & Hall/CRC Press;
-
Sael L, Kihara D. Protein surface representation and comparison: new approaches in structural proteomics. In: Chen J, Lonardi S. editors. Biological data mining. Chapman & Hall/CRC Press; 2009. pp 89-109.
-
(2009)
Biological data mining
, pp. 89-109
-
-
Sael, L.1
Kihara, D.2
-
24
-
-
34547587452
-
eF-seek: prediction of the functional sites of proteins by searching for similar electrostatic potential and molecular surface shape
-
Kinoshita K, Murakami Y, Nakamura H. eF-seek: prediction of the functional sites of proteins by searching for similar electrostatic potential and molecular surface shape. Nucleic Acids Res 2007; 35: W398-W402.
-
(2007)
Nucleic Acids Res
, vol.35
-
-
Kinoshita, K.1
Murakami, Y.2
Nakamura, H.3
-
25
-
-
19544389524
-
Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons
-
Morris RJ, Najmanovich RJ, Kahraman A, Thornton JM. Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons. Bioinformatics 2005; 21: 2347-2355.
-
(2005)
Bioinformatics
, vol.21
, pp. 2347-2355
-
-
Morris, R.J.1
Najmanovich, R.J.2
Kahraman, A.3
Thornton, J.M.4
-
26
-
-
77951245620
-
On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteins
-
Kahraman A, Morris RJ, Laskowski RA, Favia AD, Thornton JM. On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteins. Proteins 2010; 78: 1120-1136.
-
(2010)
Proteins
, vol.78
, pp. 1120-1136
-
-
Kahraman, A.1
Morris, R.J.2
Laskowski, R.A.3
Favia, A.D.4
Thornton, J.M.5
-
27
-
-
73349097886
-
Rapid comparison of protein binding site surfaces with property encoded shape distributions
-
Das S, Kokardekar A, Breneman CM. Rapid comparison of protein binding site surfaces with property encoded shape distributions. J Chem Inf Model 2009; 49: 2863-2872.
-
(2009)
J Chem Inf Model
, vol.49
, pp. 2863-2872
-
-
Das, S.1
Kokardekar, A.2
Breneman, C.M.3
-
29
-
-
77953587057
-
Real-time ligand binding pocket database search using local surface descriptors
-
Chikhi R, Sael L, Kihara D. Real-time ligand binding pocket database search using local surface descriptors. Proteins 2010; 78: 2007-2028.
-
(2010)
Proteins
, vol.78
, pp. 2007-2028
-
-
Chikhi, R.1
Sael, L.2
Kihara, D.3
-
30
-
-
0030826293
-
A method to search for similar protein local structures at ligand binding sites and its application to adenine recognition
-
Kobayashi N, Go N. A method to search for similar protein local structures at ligand binding sites and its application to adenine recognition. Eur Biophys J 1997; 26: 135-144.
-
(1997)
Eur Biophys J
, vol.26
, pp. 135-144
-
-
Kobayashi, N.1
Go, N.2
-
31
-
-
41149093109
-
Characterization of local geometry of protein surfaces with the visibility criterion
-
Li B, Turuvekere S, Agrawal M, La D, Ramani K, Kihara D. Characterization of local geometry of protein surfaces with the visibility criterion. Proteins 2008; 71: 670-683.
-
(2008)
Proteins
, vol.71
, pp. 670-683
-
-
Li, B.1
Turuvekere, S.2
Agrawal, M.3
La, D.4
Ramani, K.5
Kihara, D.6
-
32
-
-
0037779312
-
3D Zernike moments and Zernike affine invariants for 3D image analysis and recognition
-
Kangerlussuaq, Greenland;
-
Canterakis N. 3D Zernike moments and Zernike affine invariants for 3D image analysis and recognition. In: Proceedings of the 11th Scandinavian conference on image analysis, Kangerlussuaq, Greenland; 1999. pp 85-93.
-
(1999)
Proceedings of the 11th Scandinavian conference on image analysis
, pp. 85-93
-
-
Canterakis, N.1
-
34
-
-
33750029942
-
LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation
-
Huang B, Schroeder M. LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation. BMC Struct Biol 2006; 6: 19.
-
(2006)
BMC Struct Biol
, vol.6
, pp. 19
-
-
Huang, B.1
Schroeder, M.2
-
35
-
-
0035964342
-
Electrostatics of nanosystems: application to microtubules and the ribosome
-
Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc Natl Acad Sci USA 2001; 98: 10037-10041.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
36
-
-
0020475449
-
A simple method for displaying the hydropathic character of a protein
-
Kyte J, Doolittle RF. A simple method for displaying the hydropathic character of a protein. J Mol Biol 1982; 157: 105-132.
-
(1982)
J Mol Biol
, vol.157
, pp. 105-132
-
-
Kyte, J.1
Doolittle, R.F.2
-
38
-
-
68549104171
-
Potential for protein surface shape analysis using spherical harmonics and 3D Zernike descriptors
-
Venkatraman V, Sael L, Kihara D. Potential for protein surface shape analysis using spherical harmonics and 3D Zernike descriptors. Cell Biochem Biophys 2009; 54: 23-32.
-
(2009)
Cell Biochem Biophys
, vol.54
, pp. 23-32
-
-
Venkatraman, V.1
Sael, L.2
Kihara, D.3
-
39
-
-
80052230202
-
Molecular surface representation using 3D Zernike descriptors for protein shape comparison and docking
-
Kihara D, Sael L, Chikhi R, Esquivel-Rodriguez J. Molecular surface representation using 3D Zernike descriptors for protein shape comparison and docking. Curr Protein Pept Sci 2011; 12: 520-530.
-
(2011)
Curr Protein Pept Sci
, vol.12
, pp. 520-530
-
-
Kihara, D.1
Sael, L.2
Chikhi, R.3
Esquivel-Rodriguez, J.4
-
40
-
-
51349090017
-
Fast protein tertiary structure retrieval based on global surface shape similarity
-
Sael L, Li B, La D, Fang Y, Ramani K, Rustamov R, Kihara D. Fast protein tertiary structure retrieval based on global surface shape similarity. Proteins 2008; 72: 1259-1273.
-
(2008)
Proteins
, vol.72
, pp. 1259-1273
-
-
Sael, L.1
Li, B.2
La, D.3
Fang, Y.4
Ramani, K.5
Rustamov, R.6
Kihara, D.7
-
41
-
-
70350697850
-
3D-SURFER: software for high-throughput protein surface comparison and analysis
-
La D, Esquivel-Rodriguez J, Venkatraman V, Li B, Sael L, Ueng S, Ahrendt S, Kihara D. 3D-SURFER: software for high-throughput protein surface comparison and analysis. Bioinformatics 2009; 25: 2843-2844.
-
(2009)
Bioinformatics
, vol.25
, pp. 2843-2844
-
-
La, D.1
Esquivel-Rodriguez, J.2
Venkatraman, V.3
Li, B.4
Sael, L.5
Ueng, S.6
Ahrendt, S.7
Kihara, D.8
-
42
-
-
50849126111
-
Rapid comparison of properties on protein surface
-
Sael L, La D, Li B, Rustamov R, Kihara D. Rapid comparison of properties on protein surface. Proteins 2008; 73: 1-10.
-
(2008)
Proteins
, vol.73
, pp. 1-10
-
-
Sael, L.1
La, D.2
Li, B.3
Rustamov, R.4
Kihara, D.5
-
43
-
-
76749110379
-
Application of 3D Zernike descriptors to shape-based ligand similarity searching
-
Venkatraman V, Chakravarthy PR. Application of 3D Zernike descriptors to shape-based ligand similarity searching. J Cheminform 2009; 1: 1-19.
-
(2009)
J Cheminform
, vol.1
, pp. 1-19
-
-
Venkatraman, V.1
Chakravarthy, P.R.2
-
44
-
-
74049092313
-
Protein-protein docking using region-based 3D Zernike descriptors
-
Venkatraman V, Yang YD, Sael L, Kihara D. Protein-protein docking using region-based 3D Zernike descriptors. BMC Bioinform 2009; 10: 407.
-
(2009)
BMC Bioinform
, vol.10
, pp. 407
-
-
Venkatraman, V.1
Yang, Y.D.2
Sael, L.3
Kihara, D.4
-
45
-
-
78650810394
-
Protein surface representation for application to comparing low-resolution protein structure data
-
Sael L, Kihara D. Protein surface representation for application to comparing low-resolution protein structure data. BMC Bioinform 2010; 11: S2.
-
(2010)
BMC Bioinform
, vol.11
-
-
Sael, L.1
Kihara, D.2
-
46
-
-
79551486909
-
Fingerprint-based structure retrieval using electron density
-
Yin S, Dokholyan NV. Fingerprint-based structure retrieval using electron density. Proteins 2010; 79: 1002-1009.
-
(2010)
Proteins
, vol.79
, pp. 1002-1009
-
-
Yin, S.1
Dokholyan, N.V.2
-
47
-
-
74049098905
-
Characterization and classification of local protein surfaces using self-organizing map
-
Sael L, Kihara D. Characterization and classification of local protein surfaces using self-organizing map. Int J Knowl Discov Bioinformatics 2010; 1: 32-47.
-
(2010)
Int J Knowl Discov Bioinformatics
, vol.1
, pp. 32-47
-
-
Sael, L.1
Kihara, D.2
-
48
-
-
78650986186
-
Binding ligand prediction for proteins using partial matching of local surface patches
-
Sael L, Kihara D. Binding ligand prediction for proteins using partial matching of local surface patches. Int J Mol Sci 2010; 11: 5009-5026.
-
(2010)
Int J Mol Sci
, vol.11
, pp. 5009-5026
-
-
Sael, L.1
Kihara, D.2
-
50
-
-
29444457054
-
Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships
-
Gold ND, Jackson RM. Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships. J Mol Biol 2006; 355: 1112-1124.
-
(2006)
J Mol Biol
, vol.355
, pp. 1112-1124
-
-
Gold, N.D.1
Jackson, R.M.2
-
51
-
-
44949110143
-
Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions
-
Minai R, Matsuo Y, Onuki H, Hirota H. Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions. Proteins 2008; 72: 367-381.
-
(2008)
Proteins
, vol.72
, pp. 367-381
-
-
Minai, R.1
Matsuo, Y.2
Onuki, H.3
Hirota, H.4
-
52
-
-
77249086225
-
BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server
-
Xiong B, Wu J, Burk D, Xue M, Jiang H, Shen J. BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server. BMC Bioinformatics 2010; 11: 47.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 47
-
-
Xiong, B.1
Wu, J.2
Burk, D.3
Xue, M.4
Jiang, H.5
Shen, J.6
-
53
-
-
0031715982
-
Protein structure alignment by incremental combinatorial extension (CE) of the optimal path
-
Shindyalov IN, Bourne PE. Protein structure alignment by incremental combinatorial extension (CE) of the optimal path. Protein Eng 1998; 11: 739-747.
-
(1998)
Protein Eng
, vol.11
, pp. 739-747
-
-
Shindyalov, I.N.1
Bourne, P.E.2
-
54
-
-
37849035176
-
What is the relationship between the global structures of apo and holo proteins?
-
Brylinski M, Skolnick J. What is the relationship between the global structures of apo and holo proteins? Proteins 2007; 70: 363-377.
-
(2007)
Proteins
, vol.70
, pp. 363-377
-
-
Brylinski, M.1
Skolnick, J.2
-
55
-
-
61449173017
-
The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding
-
Wallach I, Lilien R. The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding. Bioinformatics 2009; 25: 615-620.
-
(2009)
Bioinformatics
, vol.25
, pp. 615-620
-
-
Wallach, I.1
Lilien, R.2
-
56
-
-
77950638605
-
Computational modeling of structure-function of G protein-coupled receptors with applications for drug design
-
Li YY, Hou TJ, Goddard WA, III. Computational modeling of structure-function of G protein-coupled receptors with applications for drug design. Curr Med Chem 2010; 17: 1167-1180.
-
(2010)
Curr Med Chem
, vol.17
, pp. 1167-1180
-
-
Li, Y.Y.1
Hou, T.J.2
Goddard III, W.A.3
-
57
-
-
84862277104
-
Constructing patch-based ligand-binding pocket database for predicting function of proteins
-
Sael L, Kihara D. Constructing patch-based ligand-binding pocket database for predicting function of proteins. BMC Bioinformatics 2012, in press.
-
(2012)
BMC Bioinformatics
-
-
Sael, L.1
Kihara, D.2
|