-
1
-
-
0141884324
-
Helicobacter pylori virulence factors - one part of a big picture
-
Höcker M, Hohenberger P, (2003) Helicobacter pylori virulence factors - one part of a big picture. Lancet 362: 1231-1233.
-
(2003)
Lancet
, vol.362
, pp. 1231-1233
-
-
Höcker, M.1
Hohenberger, P.2
-
2
-
-
44949243126
-
New concepts of resistance in the treatment of Helicobacter pylori infections
-
Graham DY, Shiotani A, (2008) New concepts of resistance in the treatment of Helicobacter pylori infections. Nat Clin Pract Gastroenterol Hepatol 5: 321-331.
-
(2008)
Nat Clin Pract Gastroenterol Hepatol
, vol.5
, pp. 321-331
-
-
Graham, D.Y.1
Shiotani, A.2
-
3
-
-
77957232471
-
Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E-Cadherin to disrupt intercellular adhesion
-
Hoy B, Löwer M, Weydig C, Carra G, Tegtmeyer N, et al. (2010) Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E-Cadherin to disrupt intercellular adhesion. EMBO Rep 11: 798-804.
-
(2010)
EMBO Rep
, vol.11
, pp. 798-804
-
-
Hoy, B.1
Löwer, M.2
Weydig, C.3
Carra, G.4
Tegtmeyer, N.5
-
4
-
-
33644787381
-
E-cadherin in gastric cancer
-
Chan AO, (2006) E-cadherin in gastric cancer. World J Gastroenterol 12: 199-203.
-
(2006)
World J Gastroenterol
, vol.12
, pp. 199-203
-
-
Chan, A.O.1
-
5
-
-
36348937335
-
Soluble cadherins as cancer biomarkers
-
De Wever O, Derycke L, Hendrix A, De Meerleer G, Godeau F, et al. (2007) Soluble cadherins as cancer biomarkers. Clin Exp Metastasis 24: 685-697.
-
(2007)
Clin Exp Metastasis
, vol.24
, pp. 685-697
-
-
De Wever, O.1
Derycke, L.2
Hendrix, A.3
De Meerleer, G.4
Godeau, F.5
-
6
-
-
2942722780
-
High-throughput modeling of human G-Protein coupled receptors: Amino acid sequence alignment, three-dimensional model building, and receptor library screening
-
Bissantz C, Logean A, Rognan A, (2004) High-throughput modeling of human G-Protein coupled receptors: Amino acid sequence alignment, three-dimensional model building, and receptor library screening. J Chem Inf Comput Sys 44: 1162-1176.
-
(2004)
J Chem Inf Comput Sys
, vol.44
, pp. 1162-1176
-
-
Bissantz, C.1
Logean, A.2
Rognan, A.3
-
7
-
-
33244475355
-
Screening drug-like compounds by docking to homology models: a systematic study
-
Kairys V, Fernandes MX, Gilson MK, (2006) Screening drug-like compounds by docking to homology models: a systematic study. J Chem Inf Model 46: 365-379.
-
(2006)
J Chem Inf Model
, vol.46
, pp. 365-379
-
-
Kairys, V.1
Fernandes, M.X.2
Gilson, M.K.3
-
8
-
-
34548304745
-
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
-
Ekins S, Mestres J, Testa B, (2007) In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Br J Pharmacol 152: 9-20.
-
(2007)
Br J Pharmacol
, vol.152
, pp. 9-20
-
-
Ekins, S.1
Mestres, J.2
Testa, B.3
-
9
-
-
71749086377
-
G protein-coupled receptors: target-based in silico screening
-
Senderowitz H, Marantz Y, (2009) G protein-coupled receptors: target-based in silico screening. Curr Pharm Des pp. 4049-4068.
-
(2009)
Curr Pharm Des
, pp. 4049-4068
-
-
Senderowitz, H.1
Marantz, Y.2
-
10
-
-
40049105721
-
Essential factors for successful virtual screening
-
Seifert MH, Lang M, (2008) Essential factors for successful virtual screening. Mini Rev Med Chem 8: 63-72.
-
(2008)
Mini Rev Med Chem
, vol.8
, pp. 63-72
-
-
Seifert, M.H.1
Lang, M.2
-
11
-
-
0026813925
-
The computer program LUDI: a new method for the de novo design of enzyme inhibitors
-
Böhm HJ, (1992) The computer program LUDI: a new method for the de novo design of enzyme inhibitors. J Comput Aided Mol Des 6: 61-78.
-
(1992)
J Comput Aided Mol Des
, vol.6
, pp. 61-78
-
-
Böhm, H.J.1
-
12
-
-
77953631827
-
A medicinal chemist's guide to molecular interactions
-
Bissantz C, Kuhn B, Stahl M, (2010) A medicinal chemist's guide to molecular interactions. J Med Chem 53: 6241.
-
(2010)
J Med Chem
, vol.53
, pp. 6241
-
-
Bissantz, C.1
Kuhn, B.2
Stahl, M.3
-
14
-
-
33646234260
-
Algorithmic Engines in Virtual Screening
-
In: Opera TI, editors, Weinheim, Wiley VCH
-
Rarey M, Lemmen C, Matter H, (2005) Algorithmic Engines in Virtual Screening. In: Opera TI, editors. Chemoinformatics in Drug Discovery Weinheim Wiley VCH pp. 59-116.
-
(2005)
Chemoinformatics in Drug Discovery
, pp. 59-116
-
-
Rarey, M.1
Lemmen, C.2
Matter, H.3
-
15
-
-
49449085235
-
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): A knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores
-
Barillari C, Marcou G, Rognan D, (2008) Hot-spots-guided receptor-based pharmacophores (HS-Pharm): A knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores. J Chem Inf Model 48: 1396-1410.
-
(2008)
J Chem Inf Model
, vol.48
, pp. 1396-1410
-
-
Barillari, C.1
Marcou, G.2
Rognan, D.3
-
17
-
-
13844320566
-
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
-
Wolber G, Langer T, (2005) LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J Chem Inf Model 45: 160-169.
-
(2005)
J Chem Inf Model
, vol.45
, pp. 160-169
-
-
Wolber, G.1
Langer, T.2
-
18
-
-
33744819719
-
A pseudo-ligand approach to virtual screening
-
Schüller A, Fechner U, Renner S, Franke L, Weber L, et al. (2006) A pseudo-ligand approach to virtual screening. Comb Chem High Throughput Screen 9: 359-364.
-
(2006)
Comb Chem High Throughput Screen
, vol.9
, pp. 359-364
-
-
Schüller, A.1
Fechner, U.2
Renner, S.3
Franke, L.4
Weber, L.5
-
19
-
-
0042622380
-
SWISS-MODEL: an automated protein homology-modeling server
-
Schwede T, Kopp J, Guex N, Peitsch MC, (2003) SWISS-MODEL: an automated protein homology-modeling server. Nucleic Acids Res 31: 3381-3385.
-
(2003)
Nucleic Acids Res
, vol.31
, pp. 3381-3385
-
-
Schwede, T.1
Kopp, J.2
Guex, N.3
Peitsch, M.C.4
-
20
-
-
37549069401
-
Scaffold hopping by 'fuzzy' pharmacophores and its application to RNA targets
-
Tanrikulu Y, Nietert M, Scheffer U, Proschak E, Grabowski K, et al. (2007) Scaffold hopping by 'fuzzy' pharmacophores and its application to RNA targets. ChemBioChem 8: 1932-1936.
-
(2007)
ChemBioChem
, vol.8
, pp. 1932-1936
-
-
Tanrikulu, Y.1
Nietert, M.2
Scheffer, U.3
Proschak, E.4
Grabowski, K.5
-
21
-
-
34547341277
-
PocketPicker: analysis of ligand binding-sites with shape descriptors
-
Weisel M, Proschak E, Schneider G, (2007) PocketPicker: analysis of ligand binding-sites with shape descriptors. Chem Central J 1: 7.
-
(2007)
Chem Central J
, vol.1
, pp. 7
-
-
Weisel, M.1
Proschak, E.2
Schneider, G.3
-
22
-
-
60349119258
-
Form follows function: shape analysis of protein cavities for receptor-based drug design
-
Weisel M, Proschak E, Kriegl JM, Schneider G, (2009) Form follows function: shape analysis of protein cavities for receptor-based drug design. Proteomics 9: 451-459.
-
(2009)
Proteomics
, vol.9
, pp. 451-459
-
-
Weisel, M.1
Proschak, E.2
Kriegl, J.M.3
Schneider, G.4
-
23
-
-
55649113505
-
Prediction of extracellular proteases of the human pathogen Helicobacter pylori reveals proteolytic activity of the Hp1018/19 Protein HtrA
-
Löwer M, Weydig C, Metzler D, Reuter A, Starzinski-Powitz A, et al. (2008) Prediction of extracellular proteases of the human pathogen Helicobacter pylori reveals proteolytic activity of the Hp1018/19 Protein HtrA. PLoS One 3: e3510.
-
(2008)
PLoS One
, vol.3
-
-
Löwer, M.1
Weydig, C.2
Metzler, D.3
Reuter, A.4
Starzinski-Powitz, A.5
-
24
-
-
41349110382
-
How to do an evaluation: pitfalls and traps
-
Hawkins PCD, Warren GL, Skillman AG, Nicholls A, (2008) How to do an evaluation: pitfalls and traps. J Comput Aided Mol Des 22: 179-190.
-
(2008)
J Comput Aided Mol Des
, vol.22
, pp. 179-190
-
-
Hawkins, P.C.D.1
Warren, G.L.2
Skillman, A.G.3
Nicholls, A.4
-
25
-
-
0242467732
-
Collection of bioactive reference compounds for focused library design
-
Schneider P, Schneider G, (2003) Collection of bioactive reference compounds for focused library design. QSAR Comb Sci 22: 713-718.
-
(2003)
QSAR Comb Sci
, vol.22
, pp. 713-718
-
-
Schneider, P.1
Schneider, G.2
-
26
-
-
0001521573
-
Experiments using isonitrilen
-
Ugi I, Meyr R, Fetzer U, Steinbrückner C, (1959) Experiments using isonitrilen. Angew Chem 71: 386.
-
(1959)
Angew Chem
, vol.71
, pp. 386
-
-
Ugi, I.1
Meyr, R.2
Fetzer, U.3
Steinbrückner, C.4
-
27
-
-
0001008510
-
About a condensation-principle
-
Ugi I, Steinbrückner C, (1960) About a condensation-principle. Angew Chem 72: 267.
-
(1960)
Angew Chem
, vol.72
, pp. 267
-
-
Ugi, I.1
Steinbrückner, C.2
-
28
-
-
44449122375
-
Maximum Unbiased Validation (MUV) datasets for virtual screening based on PubChem bioactivity data
-
Rohrer SG, Baumann K, (2008) Maximum Unbiased Validation (MUV) datasets for virtual screening based on PubChem bioactivity data. J Chem Inf Model 48: 704-718.
-
(2008)
J Chem Inf Model
, vol.48
, pp. 704-718
-
-
Rohrer, S.G.1
Baumann, K.2
-
29
-
-
33646023117
-
An introduction to ROC analysis
-
Fawcett T, (2006) An introduction to ROC analysis. Pattern Recognit Lett 7: 861-874.
-
(2006)
Pattern Recognit Lett
, vol.7
, pp. 861-874
-
-
Fawcett, T.1
-
30
-
-
34247272948
-
Evaluating virtual screening methods: good and bad metrics for the 'early recognition' problem
-
Truchon JF, Bayly CI, (2007) Evaluating virtual screening methods: good and bad metrics for the 'early recognition' problem. J Chem Inf Model 47: 488-508.
-
(2007)
J Chem Inf Model
, vol.47
, pp. 488-508
-
-
Truchon, J.F.1
Bayly, C.I.2
-
31
-
-
0030979125
-
Automatic identification and representation of protein binding sites for molecular docking
-
Ruppert J, Welch W, Jain AN, (1997) Automatic identification and representation of protein binding sites for molecular docking. Protein Sci 6: 524-533.
-
(1997)
Protein Sci
, vol.6
, pp. 524-533
-
-
Ruppert, J.1
Welch, W.2
Jain, A.N.3
-
32
-
-
0033954256
-
The Protein Data Bank
-
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, et al. (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
-
33
-
-
45149106311
-
Structural basis for the regulated protease and chaperone function of DegP
-
Krojer T, Sawa J, Schäfer E, Saibil HR, Ehrmann M, et al. (2008) Structural basis for the regulated protease and chaperone function of DegP. Nature 453: 885-890.
-
(2008)
Nature
, vol.453
, pp. 885-890
-
-
Krojer, T.1
Sawa, J.2
Schäfer, E.3
Saibil, H.R.4
Ehrmann, M.5
-
34
-
-
0025183708
-
Basic local alignment search tool
-
Altschul SF, Gish W, Miller W, Myers EW, Lipman DJ, (1990) Basic local alignment search tool. J Mol Biol 215: 403-410.
-
(1990)
J Mol Biol
, vol.215
, pp. 403-410
-
-
Altschul, S.F.1
Gish, W.2
Miller, W.3
Myers, E.W.4
Lipman, D.J.5
-
35
-
-
79953320216
-
Virtuelles Screening nach Inhibitoren der Protease HtrA aus Helicobacter pylori
-
PhD thesis, Goethe University Frankfurt/Main (Germany)
-
Löwer M, (2009) Virtuelles Screening nach Inhibitoren der Protease HtrA aus Helicobacter pylori. PhD thesis, Goethe University Frankfurt/Main (Germany).
-
(2009)
-
-
Löwer, M.1
-
36
-
-
0028914722
-
Structural basis of substrate specificity in the serine proteases
-
Perona JJ, Craik CS, (1995) Structural basis of substrate specificity in the serine proteases. Protein Sci 4: 337-360.
-
(1995)
Protein Sci
, vol.4
, pp. 337-360
-
-
Perona, J.J.1
Craik, C.S.2
-
37
-
-
57349114162
-
The cell-cell adhesion molecule E-cadherin
-
van Roy F, Berx G, (2008) The cell-cell adhesion molecule E-cadherin. Cell Mol Life Sci 65: 3756-3788.
-
(2008)
Cell Mol Life Sci
, vol.65
, pp. 3756-3788
-
-
van Roy, F.1
Berx, G.2
-
38
-
-
77950543366
-
Troubleshooting computational methods in drug discovery
-
Kortagere S, Ekins S, (2010) Troubleshooting computational methods in drug discovery. J Pharmacol Toxicol Meth 61: 67-75.
-
(2010)
J Pharmacol Toxicol Meth
, vol.61
, pp. 67-75
-
-
Kortagere, S.1
Ekins, S.2
-
40
-
-
57549116404
-
Targets looking for drugs: a multistep computational protocol for the development of structure-based pharmacophores and their applications for hit discovery
-
Tintori C, Corradi V, Magnani M, Manetti F, Botta M, (2008) Targets looking for drugs: a multistep computational protocol for the development of structure-based pharmacophores and their applications for hit discovery. J Chem Inf Model 48: 2166-2179.
-
(2008)
J Chem Inf Model
, vol.48
, pp. 2166-2179
-
-
Tintori, C.1
Corradi, V.2
Magnani, M.3
Manetti, F.4
Botta, M.5
-
41
-
-
70349373859
-
Combining docking with pharmacophore filtering for improved virtual screening
-
Peach ML, Nicklaus MC, (2009) Combining docking with pharmacophore filtering for improved virtual screening. J Cheminform 1: 6.
-
(2009)
J Cheminform
, vol.1
, pp. 6
-
-
Peach, M.L.1
Nicklaus, M.C.2
-
42
-
-
42149090634
-
Structure-activity landscape index: identifying and quantifying activity cliffs
-
Guha R, van Drie JH, (2008) Structure-activity landscape index: identifying and quantifying activity cliffs. J Chem Inf Model 48: 646-658.
-
(2008)
J Chem Inf Model
, vol.48
, pp. 646-658
-
-
Guha, R.1
van Drie, J.H.2
-
43
-
-
34548621770
-
CagA-independent disruption of adherence junction complexes involves E-cadherin shedding and implies multiple steps in Helicobacter pylori pathogenicity
-
Weydig C, Starzinski-Powitz A, Carra G, Löwer J, Wessler S, (2007) CagA-independent disruption of adherence junction complexes involves E-cadherin shedding and implies multiple steps in Helicobacter pylori pathogenicity. Exp Cell Res 313: 3459-3471.
-
(2007)
Exp Cell Res
, vol.313
, pp. 3459-3471
-
-
Weydig, C.1
Starzinski-Powitz, A.2
Carra, G.3
Löwer, J.4
Wessler, S.5
-
44
-
-
0003518498
-
-
München, Addison-Wesley, 3rd Ed
-
Gosling J, Joy B, Steele G, Bracha G, (2005) The Java Language Specification, 3rd ed München Addison-Wesley.
-
(2005)
The Java Language Specification
-
-
Gosling, J.1
Joy, B.2
Steele, G.3
Bracha, G.4
-
46
-
-
0037361967
-
The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics
-
Steinbeck C, (2003) The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics. J Chem Inf Comp Sci 43: 493-500.
-
(2003)
J Chem Inf Comp Sci
, vol.43
, pp. 493-500
-
-
Steinbeck, C.1
-
47
-
-
84906467630
-
Protein-Ligand Docking and Virtual Screening with GOLD
-
In: Shoichet B, Alvarez J, editors, Boca Raton, Taylor & Francis CRC Press
-
Cole JC, Nissink JWM, Taylor R, (2005) Protein-Ligand Docking and Virtual Screening with GOLD. In: Shoichet B, Alvarez J, editors. Virtual Screening in Drug Discovery Boca Raton Taylor & Francis CRC Press pp. 379-416.
-
(2005)
Virtual Screening in Drug Discovery
, pp. 379-416
-
-
Cole, J.C.1
Nissink, J.W.M.2
Taylor, R.3
|