-
1
-
-
0345059398
-
Wilson disease
-
Gitlin, J.D. Wilson disease. Gastroenterology 2003, 125, 1868-1877.
-
(2003)
Gastroenterology
, vol.125
, pp. 1868-1877
-
-
Gitlin, J.D.1
-
2
-
-
34447095430
-
Evaluation of the utility of homology models in high throughput docking
-
Ferrara, P.; Jacoby, E. Evaluation of the utility of homology models in high throughput docking. J. Mol. Model. 2007, 13, 897-905.
-
(2007)
J. Mol. Model
, vol.13
, pp. 897-905
-
-
Ferrara, P.1
Jacoby, E.2
-
3
-
-
12344310323
-
Purine receptors: GPCR structure and agonist design
-
Jacobson, K.A.; Kim, S.K.; Costanzi, S.; Gao, Z.G. Purine receptors: GPCR structure and agonist design. Mol. Interv. 2004, 4, 337-347.
-
(2004)
Mol. Interv
, vol.4
, pp. 337-347
-
-
Jacobson, K.A.1
Kim, S.K.2
Costanzi, S.3
Gao, Z.G.4
-
4
-
-
33748276474
-
Protein-ligand docking: Current status and future challenges
-
Sousa, S.F.; Fernandes, P.A.; Ramos, M.J. Protein-ligand docking: current status and future challenges. PROTEINS 2006, 65, 15-26.
-
(2006)
PROTEINS
, vol.65
, pp. 15-26
-
-
Sousa, S.F.1
Fernandes, P.A.2
Ramos, M.J.3
-
5
-
-
8844263008
-
Docking and scoring in virtual screening for drug discovery: Methods and applications
-
Kitchen D.B.; Decornez, H.; Furr, J.R.; Bajorath, J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nat. Rev. Drug. Discov. 2004, 3,b935-949.
-
(2004)
Nat. Rev. Drug. Discov
, vol.3
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
6
-
-
0041919542
-
Improved protein-ligand docking using GOLD
-
Verdonk, M.L.; Cole, J.C.; Hartshorn, M.J.; Murray, C.W.; Taylor, R.D. Improved protein-ligand docking using GOLD. PROTEINS 2003, 52, 609-623.
-
(2003)
PROTEINS
, vol.52
, pp. 609-623
-
-
Verdonk, M.L.1
Cole, J.C.2
Hartshorn, M.J.3
Murray, C.W.4
Taylor, R.D.5
-
7
-
-
3342933156
-
Target-biased scoring approaches and expert systems in structure-based virtual screening
-
Jansen, J.M.; Martin, E.J. Target-biased scoring approaches and expert systems in structure-based virtual screening. Curr. Opin. Chem. Biol. 2004, 8, 359-364.
-
(2004)
Curr. Opin. Chem. Biol
, vol.8
, pp. 359-364
-
-
Jansen, J.M.1
Martin, E.J.2
-
8
-
-
24644472441
-
Modeling protein recognition of carbohydrates
-
Laederach, A.; Reilly, P.J. Modeling protein recognition of carbohydrates. PROTEINS 2005, 60, 591-597.
-
(2005)
PROTEINS
, vol.60
, pp. 591-597
-
-
Laederach, A.1
Reilly, P.J.2
-
9
-
-
0033523959
-
Predicting binding affinities of protein ligands from three-dimensional models: Application to peptide binding to class I major histocompatibility proteins
-
Rognan, D.; Lauemoller, S.L.; Holm, A.; Buus, S.; Tschinke, V. Predicting binding affinities of protein ligands from three-dimensional models: application to peptide binding to class I major histocompatibility proteins. J. Med. Chem. 1999, 42, 4650-4658.
-
(1999)
J. Med. Chem
, vol.42
, pp. 4650-4658
-
-
Rognan, D.1
Lauemoller, S.L.2
Holm, A.3
Buus, S.4
Tschinke, V.5
-
10
-
-
33845990592
-
Complementarity of hydrophobic properties in ATP-protein binding: A new criterion to rank docking solutions
-
Pyrkov, T.V.; Kosinsky, Y.A.; Arseniev, A.S.; Priestle, J.P.; Jacoby, E.; Efremov, R.G. Complementarity of hydrophobic properties in ATP-protein binding: a new criterion to rank docking solutions. PROTEINS 2007, 66, 288-298.
-
(2007)
PROTEINS
, vol.66
, pp. 288-298
-
-
Pyrkov, T.V.1
Kosinsky, Y.A.2
Arseniev, A.S.3
Priestle, J.P.4
Jacoby, E.5
Efremov, R.G.6
-
11
-
-
0001607723
-
Distantly related sequences in the α- and β-subunits of ATP-synthase, myosin, kinase and other ATP-requiring enzymes and a common nucleotide binding fold
-
Walker, J.; Saraste, M.; Runswick, M.; Gay, N. Distantly related sequences in the α- and β-subunits of ATP-synthase, myosin, kinase and other ATP-requiring enzymes and a common nucleotide binding fold. EMBO J. 1982, 1, 945-951.
-
(1982)
EMBO J
, vol.1
, pp. 945-951
-
-
Walker, J.1
Saraste, M.2
Runswick, M.3
Gay, N.4
-
12
-
-
0028279385
-
The functions and consensus motifs of 9 types of peptide segments that form different types of nucleotide-binding sites
-
Traut, T.W. The functions and consensus motifs of 9 types of peptide segments that form different types of nucleotide-binding sites. Eur. J. Biochem. 1994, 222, 9-19.
-
(1994)
Eur. J. Biochem
, vol.222
, pp. 9-19
-
-
Traut, T.W.1
-
13
-
-
0025048136
-
The P-loop - a common motif in ATP- and GTP-binding proteins
-
Saraste, M.; Sibbald, P. R.; Wittinghofer, A. The P-loop - a common motif in ATP- and GTP-binding proteins. Trends Biochem. Sci. 1990, 15, 430-434.
-
(1990)
Trends Biochem. Sci
, vol.15
, pp. 430-434
-
-
Saraste, M.1
Sibbald, P.R.2
Wittinghofer, A.3
-
14
-
-
0036408749
-
Conserved positions for ribose recognition: Importance of water bridging interactions among ATP, ADP and FAD-protein complexes
-
Babor, M.; Sobolev, V.; Edelman, M. Conserved positions for ribose recognition: importance of water bridging interactions among ATP, ADP and FAD-protein complexes. J. Mol. Biol. 2002, 323, 523-532.
-
(2002)
J. Mol. Biol
, vol.323
, pp. 523-532
-
-
Babor, M.1
Sobolev, V.2
Edelman, M.3
-
15
-
-
31544440473
-
An empirical approach for detecting nucleotide-binding sites on proteins
-
Saito, M.; Go, M.; Shirai, T. An empirical approach for detecting nucleotide-binding sites on proteins. Protein. Eng. Des. Sel. 2006, 19, 67-75.
-
(2006)
Protein. Eng. Des. Sel
, vol.19
, pp. 67-75
-
-
Saito, M.1
Go, M.2
Shirai, T.3
-
16
-
-
0842289654
-
Molecular determinants for ATP-binding in proteins: A data mining and quantum chemical analysis
-
Mao, L.; Wang, Y.; Liu, Y.; Hu, X. Molecular determinants for ATP-binding in proteins: a data mining and quantum chemical analysis. J. Mol. Biol. 2004, 336, 787-807.
-
(2004)
J. Mol. Biol
, vol.336
, pp. 787-807
-
-
Mao, L.1
Wang, Y.2
Liu, Y.3
Hu, X.4
-
17
-
-
0042532314
-
A consensus-binding structure for adenine at the atomic level permits searching for the ligand site in a wide spectrum of adenine-containing complexes
-
Kuttner, Y.Y.; Sobolev, V.; Raskind, A.; Edelman, M. A consensus-binding structure for adenine at the atomic level permits searching for the ligand site in a wide spectrum of adenine-containing complexes. PROTEINS 2003, 52, 400-411.
-
(2003)
PROTEINS
, vol.52
, pp. 400-411
-
-
Kuttner, Y.Y.1
Sobolev, V.2
Raskind, A.3
Edelman, M.4
-
18
-
-
0036568353
-
Classification of proteins based on the properties of the ligand-binding site: The case of adenine-binding proteins
-
Cappello, V.; Tramontano, A.; Koch, U. Classification of proteins based on the properties of the ligand-binding site: the case of adenine-binding proteins. PROTEINS 2002, 47, 106-115.
-
(2002)
PROTEINS
, vol.47
, pp. 106-115
-
-
Cappello, V.1
Tramontano, A.2
Koch, U.3
-
19
-
-
0035882572
-
Adenine recognition: A motif present in ATP-, CoA-, NAD-, NADP-, and FAD-dependent proteins
-
Denissiouk, K.A.; Rantanen, V.V.; Johnson, M.S. Adenine recognition: a motif present in ATP-, CoA-, NAD-, NADP-, and FAD-dependent proteins. PROTEINS 2001, 44, 282-291.
-
(2001)
PROTEINS
, vol.44
, pp. 282-291
-
-
Denissiouk, K.A.1
Rantanen, V.V.2
Johnson, M.S.3
-
20
-
-
34248654081
-
Pharmacophore modeling in drug discovery and development: An overview
-
Khedkar, S.A.; Malde, A.K.; Coutinho, E.C.; Srivastava, S. Pharmacophore modeling in drug discovery and development: an overview. Med. Chem. 2007, 3, 187-197
-
(2007)
Med. Chem
, vol.3
, pp. 187-197
-
-
Khedkar, S.A.1
Malde, A.K.2
Coutinho, E.C.3
Srivastava, S.4
-
21
-
-
33751301012
-
Pharmacophore-based discovery of ligands for drug transporters
-
Chang, C.; Ekins, S.; Bahadduri, P.; Swaan, P. W. Pharmacophore-based discovery of ligands for drug transporters. Adv. Drug. Deliv. Rev. 2006, 58, 1431-1450.
-
(2006)
Adv. Drug. Deliv. Rev
, vol.58
, pp. 1431-1450
-
-
Chang, C.1
Ekins, S.2
Bahadduri, P.3
Swaan, P.W.4
-
22
-
-
33847217585
-
Molecular lipophilicity in protein modeling and drug design
-
Efremov, R.G.; Chugunov, A.O.; Pyrkov, T.V.; Priestle, J.P.; Arseniev, A.S.; Jacoby, E. Molecular lipophilicity in protein modeling and drug design. Curr. Med. Chem. 2007, 14, 393-415.
-
(2007)
Curr. Med. Chem
, vol.14
, pp. 393-415
-
-
Efremov, R.G.1
Chugunov, A.O.2
Pyrkov, T.V.3
Priestle, J.P.4
Arseniev, A.S.5
Jacoby, E.6
-
23
-
-
0033954256
-
The Protein Data Bank
-
Berman, H.M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T.N.; Weissig, H.; Shindyalov, I.N.; Bourne, P.E. The Protein Data Bank. Nucleic. Acid. Res. 2000, 28, 235-242.
-
(2000)
Nucleic. Acid. 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
-
24
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones, G.; Willett, P.; Glen, R.C.; Leach, A.R.; Taylor, R.D. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 1997, 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.D.5
-
25
-
-
0000381930
-
Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: An analysis of ALOGP and CLOGP methods
-
Ghose, A.K.; Viswanadhan, V.N.; Wendoloski, J.J. Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: an analysis of ALOGP and CLOGP methods. J. Phys. Chem. 1998, 102, 3762-3772.
-
(1998)
J. Phys. Chem
, vol.1
, Issue.2
, pp. 3762-3772
-
-
Ghose, A.K.1
Viswanadhan, V.N.2
Wendoloski, J.J.3
-
26
-
-
33750124980
-
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
-
Friesner, R.A.; Murphy, R.B.; Repasky, M.P.; Frye, L.L.; Greenwood, J.R.; Halgren, T.A.; Sanschagrin, P.C, Mainz, D.T. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J. Med. Chem. 2006, 49, 6177-6196.
-
(2006)
J. Med. Chem
, vol.49
, pp. 6177-6196
-
-
Friesner, R.A.1
Murphy, R.B.2
Repasky, M.P.3
Frye, L.L.4
Greenwood, J.R.5
Halgren, T.A.6
Sanschagrin, P.C.7
Mainz, D.T.8
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