-
1
-
-
34548834460
-
A novel class of potent NF-kappaB signaling inhibitors
-
Leban J, Baierl M, Mies J, et al. (2007) A novel class of potent NF-kappaB signaling inhibitors. Bioorg Med Chem Lett 17(21): 5858-5862.
-
(2007)
Bioorg Med Chem Lett
, vol.17
, Issue.21
, pp. 5858-5862
-
-
Leban, J.1
Baierl, M.2
Mies, J.3
-
2
-
-
33846414323
-
Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: A combined virtual screening and biological assay approach
-
Scarsi M, Podvinec M, Roth A, et al. (2007) Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol 71(2): 398-406.
-
(2007)
Mol Pharmacol
, vol.71
, Issue.2
, pp. 398-406
-
-
Scarsi, M.1
Podvinec, M.2
Roth, A.3
-
3
-
-
0038792292
-
Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking
-
Vangrevelinghe E, Zimmermann K, Schoepfer J, et al. (2003) Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking. J Med Chem 46(13): 2656-2662.
-
(2003)
J Med Chem
, vol.46
, Issue.13
, pp. 2656-2662
-
-
Vangrevelinghe, E.1
Zimmermann, K.2
Schoepfer, J.3
-
4
-
-
0037161605
-
Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B
-
Doman TN, McGovern SL, Witherbee BJ, et al. (2002) Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem 45(11): 2213-2221.
-
(2002)
J Med Chem
, vol.45
, Issue.11
, pp. 2213-2221
-
-
Doman, T.N.1
McGovern, S.L.2
Witherbee, B.J.3
-
5
-
-
34447275949
-
Ligand docking and structure-based virtual screening in drug discovery
-
Cavasotto CN, Orry AJ. (2007) Ligand docking and structure-based virtual screening in drug discovery. Curr Top Med Chem 7(10): 1006-1014.
-
(2007)
Curr Top Med Chem
, vol.7
, Issue.10
, pp. 1006-1014
-
-
Cavasotto, C.N.1
Orry, A.J.2
-
7
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris GM, Goodsell DS, Halliday RS, et al. (1998) Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J Comput Chem 19(14): 1639-1662.
-
(1998)
J Comput Chem
, vol.19
, Issue.14
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
-
8
-
-
33750124980
-
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for proteinligand complexes
-
Friesner RA, Murphy RB, Repasky MP, et al. (2006) Extra precision glide:docking and scoring incorporating a model of hydrophobic enclosure for proteinligand complexes. J Med Chem 49(21): 6177-6196.
-
(2006)
J Med Chem
, vol.49
, Issue.21
, pp. 6177-6196
-
-
Friesner, R.A.1
Murphy, R.B.2
Repasky, M.P.3
-
9
-
-
34248562742
-
EADock: Docking of small molecules into protein active sites with a multiobjective evolutionary optimization
-
Grosdidier A, Zoete V, Michielin O. (2007) EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization. Proteins 67(4): 1010-1025.
-
(2007)
Proteins
, vol.67
, Issue.4
, pp. 1010-1025
-
-
Grosdidier, A.1
Zoete, V.2
Michielin, O.3
-
10
-
-
33749004010
-
How inaccuracies in protein structure models affect estimates of protein-ligand interactions: Computational analysis of HIV-1 protease inhibitor binding
-
Thorsteinsdottir HB, Schwede T, Zoete V, Meuwly M. (2006) How inaccuracies in protein structure models affect estimates of protein-ligand interactions:computational analysis of HIV-1 protease inhibitor binding. Protein Struct Funct Bioinform 65(2): 407-423.
-
(2006)
Protein Struct Funct Bioinform
, vol.65
, Issue.2
, pp. 407-423
-
-
Thorsteinsdottir, H.B.1
Schwede, T.2
Zoete, V.3
Meuwly, M.4
-
12
-
-
0036601844
-
Grid services for distributed system integration
-
Foster I, Kesselman C, Nick JM, Tuecke S. (2002) Grid services for distributed system integration. Computer 35(6): 37-46.
-
(2002)
Computer
, vol.35
, Issue.6
, pp. 37-46
-
-
Foster, I.1
Kesselman, C.2
Nick, J.M.3
Tuecke, S.4
-
13
-
-
0035455653
-
The anatomy of the grid: Enabling scalable virtual organizations
-
Foster I, Kesselman C, Tuecke S. (2001) The anatomy of the grid: enabling scalable virtual organizations. Int J High Perform Comput Appl 15(3): 200-222.
-
(2001)
Int J High Perform Comput Appl
, vol.15
, Issue.3
, pp. 200-222
-
-
Foster, I.1
Kesselman, C.2
Tuecke, S.3
-
14
-
-
84969171804
-
Roadmap for the ARC grid middleware
-
J Dongarra, K Madsen, J Wasniewski (eds.), Springer
-
Eerola P, Ekelöf T, Ellert M, et al. (2006) Roadmap for the ARC grid middleware. In J Dongarra, K Madsen, J Wasniewski (eds.), Applied Parallel Computing State of the Art in Scientific Computing. Springer.
-
(2006)
Applied Parallel Computing State of the Art in Scientific Computing
-
-
Eerola, P.1
Ekelöf, T.2
Ellert, M.3
-
16
-
-
0041898464
-
Condor-G: A computation management agent for multi-institutional grids
-
Frey J, Tannenbaum T, Foster I, et al. (2002) Condor-G: a computation management agent for multi-institutional grids. Cluster Comput 5(3):237-246.
-
(2002)
Cluster Comput
, vol.5
, Issue.3
, pp. 237-246
-
-
Frey, J.1
Tannenbaum, T.2
Foster, I.3
-
18
-
-
36048961958
-
UNICORE-from project results to production grids
-
L Grandinetti (ed.), Elsevier
-
Streit A, Erwin D, Lippert T, et al. (2005) UNICORE-from project results to production grids. In L Grandinetti (ed.), Grid Computing: The New Frontiers of High Performance Processing, pp. 357-376. Elsevier.
-
(2005)
Grid Computing: The New Frontiers of High Performance Processing
, pp. 357-376
-
-
Streit, A.1
Erwin, D.2
Lippert, T.3
-
19
-
-
84969283408
-
-
Univa UD [http://www.univaud.com]
-
Univa UD
-
-
-
21
-
-
0037995929
-
SETI@home-an experiment in public-resource computing
-
Anderson DP, Cobb J, Korpela E, et al. (2002) SETI@home-an experiment in public-resource computing. Commun Acm 45(11): 56-61.
-
(2002)
Commun Acm
, vol.45
, Issue.11
, pp. 56-61
-
-
Anderson, D.P.1
Cobb, J.2
Korpela, E.3
-
22
-
-
84885579967
-
-
SETI@HOME [http://setiathome.berkeley.edu]
-
SETI@HOME
-
-
-
24
-
-
84969175837
-
-
distributed.net
-
distributed.net [http://www.distributed.net/]
-
-
-
-
25
-
-
84969254136
-
-
malariacontrol.net
-
malariacontrol.net [http://www.malariacontrol.net/]
-
-
-
-
26
-
-
84969254150
-
-
climateprediction.net
-
climateprediction.net [http://www.climateprediction.net/index.php]
-
-
-
-
27
-
-
84969171708
-
-
lhc@home
-
lhc@home [http://lhcathome.cern.ch/lhcathome/]
-
-
-
-
28
-
-
0036428782
-
Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing
-
Zagrovic B, Snow CD, Shirts MR, Pande VS. (2002) Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing. J Mol Biol 323(5): 927-937.
-
(2002)
J Mol Biol
, vol.323
, Issue.5
, pp. 927-937
-
-
Zagrovic, B.1
Snow, C.D.2
Shirts, M.R.3
Pande, V.S.4
-
30
-
-
18244404282
-
Service-oriented science
-
Foster I. (2005) Service-oriented science. Science 308(5723): 814-817.
-
(2005)
Science
, vol.308
, Issue.5723
, pp. 814-817
-
-
Foster, I.1
-
31
-
-
18244382546
-
Cyberinfrastructure: Empowering a "third way" in biomedical research
-
Buetow KH. (2005) Cyberinfrastructure: empowering a "third way" in biomedical research. Science 308(5723): 821-824.
-
(2005)
Science
, vol.308
, Issue.5723
, pp. 821-824
-
-
Buetow, K.H.1
-
32
-
-
38449104273
-
The SwissBioGrid project: Objectives, preliminary results and lessons learned
-
IEEE Computer Society Press, Amsterdam, The Netherlands
-
Podvinec M, Maffioletti S, Kunszt P, et al. (2006) The SwissBioGrid project:objectives, preliminary results and lessons learned. In 2nd IEEE International Conference on e-Science and Grid Computing (e-Science 2006). IEEE Computer Society Press, Amsterdam, The Netherlands.
-
(2006)
2nd IEEE International Conference on e-Science and Grid Computing (e-Science 2006)
-
-
Podvinec, M.1
Maffioletti, S.2
Kunszt, P.3
-
33
-
-
18244376114
-
Distributed computing. Grassroots supercomputing
-
Bohannon J. (2005) Distributed computing. Grassroots supercomputing. Science 308(5723): 810.
-
(2005)
Science
, vol.308
, Issue.5723
, pp. 810
-
-
Bohannon, J.1
-
34
-
-
84969136691
-
Distributed computing. Grid sport: Competitive crunching
-
Bohannon J. (2005) Distributed computing. Grid sport: competitive crunching. Science 308(5723): 812.
-
(2005)
Science
, vol.308
, Issue.5723
, pp. 812
-
-
Bohannon, J.1
-
37
-
-
33845602649
-
Grid-enabled high-throughput in silico screening against influenza a neuraminidase
-
Lee HC, Salzemann J, Jacq N, et al. (2006) Grid-enabled high-throughput in silico screening against influenza a neuraminidase. IEEE Trans Nanobiosci 5(4): 288-295.
-
(2006)
IEEE Trans Nanobiosci
, vol.5
, Issue.4
, pp. 288-295
-
-
Lee, H.C.1
Salzemann, J.2
Jacq, N.3
-
38
-
-
0036633496
-
Virtual screening using grid computing: The screensaver project
-
Richards WG. (2002) Virtual screening using grid computing: the screensaver project. Nat Rev Drug Discov 1(7): 551-555.
-
(2002)
Nat Rev Drug Discov
, vol.1
, Issue.7
, pp. 551-555
-
-
Richards, W.G.1
-
39
-
-
34250827919
-
Analysis of HIV wildtype and mutant structures via in silico docking against diverse ligand libraries
-
Chang MW, Lindstrom W, Olson AJ, Belew RK. (2007) Analysis of HIV wildtype and mutant structures via in silico docking against diverse ligand libraries. J Chem Inform Model 47(3): 1258-1262.
-
(2007)
J Chem Inform Model
, vol.47
, Issue.3
, pp. 1258-1262
-
-
Chang, M.W.1
Lindstrom, W.2
Olson, A.J.3
Belew, R.K.4
-
40
-
-
23844529465
-
Public-private partnership: From there to here
-
Croft SL. (2005) Public-private partnership: from there to here. Trans Roy Soc Trop Med Hyg 99: S9-S14.
-
(2005)
Trans Roy Soc Trop Med Hyg
, vol.99
, pp. S9-S14
-
-
Croft, S.L.1
-
41
-
-
35248866302
-
Design of new plasmepsin inhibitors: A virtual high-throughput screening approach on the EGEE grid
-
Kasam V, Zimmermann M, Maass A, et al. (2007) Design of new plasmepsin inhibitors: a virtual high-throughput screening approach on the EGEE grid. J Chem Inform Model 47(5): 1818-1828.
-
(2007)
J Chem Inform Model
, vol.47
, Issue.5
, pp. 1818-1828
-
-
Kasam, V.1
Zimmermann, M.2
Maass, A.3
-
42
-
-
33750531864
-
Innovative lead discovery strategies for tropical diseases
-
Nwaka S, Hudson A. (2006) Innovative lead discovery strategies for tropical diseases. Nature Rev Drug Discor 5(11): 941-955.
-
(2006)
Nature Rev Drug Discor
, vol.5
, Issue.11
, pp. 941-955
-
-
Nwaka, S.1
Hudson, A.2
-
43
-
-
13844312649
-
ZINC-a free database of commercially available compounds for virtual screening
-
Irwin JJ, Shoichet BK. (2005) ZINC-a free database of commercially available compounds for virtual screening. J Chem Inform Model 45(1): 177-182.
-
(2005)
J Chem Inform Model
, vol.45
, Issue.1
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
44
-
-
0043245780
-
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RaIGDS complexes
-
Gohlke H, Kiel C, Case DA. (2003) Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RaIGDS complexes. J Mol Biol 330(4): 891-913.
-
(2003)
J Mol Biol
, vol.330
, Issue.4
, pp. 891-913
-
-
Gohlke, H.1
Kiel, C.2
Case, D.A.3
-
45
-
-
23444447457
-
Discovery of cell-permeable nonpeptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations
-
Huang DZ, Luthi U, Kolb P, et al. (2005) Discovery of cell-permeable nonpeptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. J Med Chem 48(16): 5108-5111.
-
(2005)
J Med Chem
, vol.48
, Issue.16
, pp. 5108-5111
-
-
Huang, D.Z.1
Luthi, U.2
Kolb, P.3
-
47
-
-
33947513624
-
Multiple enzyme activities of flavivirus proteins
-
discussion 84-76, 251-253
-
Padmanabhan R, Mueller N, Reichert E, et al. (2006) Multiple enzyme activities of flavivirus proteins. Novartis Found Symp 277: 74-84; discussion 84-76, 251-253.
-
(2006)
Novartis Found Symp
, vol.277
, pp. 74-84
-
-
Padmanabhan, R.1
Mueller, N.2
Reichert, E.3
-
48
-
-
1642499388
-
Structure of the dengue virus envelope protein after membrane fusion
-
Modis Y, Ogata S, Clements D, Harrison SC. (2004) Structure of the dengue virus envelope protein after membrane fusion. Nature 427(6972): 313-319.
-
(2004)
Nature
, vol.427
, Issue.6972
, pp. 313-319
-
-
Modis, Y.1
Ogata, S.2
Clements, D.3
Harrison, S.C.4
-
49
-
-
4444338894
-
Conformational changes of the flavivirus E glycoprotein
-
Zhang Y, Zhang W, Ogata S, et al. (2004) Conformational changes of the flavivirus E glycoprotein. Structure 12(9): 1607-1618.
-
(2004)
Structure
, vol.12
, Issue.9
, pp. 1607-1618
-
-
Zhang, Y.1
Zhang, W.2
Ogata, S.3
-
50
-
-
76949101007
-
Crystal structure of the NS3 protease-helicase from dengue virus
-
Luo D, Xu T, Hunke C, Gruber G, et al. (2007) Crystal structure of the NS3 protease-helicase from dengue virus. J Virol.
-
(2007)
J Virol
-
-
Luo, D.1
Xu, T.2
Hunke, C.3
Gruber, G.4
-
51
-
-
0035201941
-
Structure, mechanism, and evolution of the mRNA capping apparatus
-
Shuman S. (2001) Structure, mechanism, and evolution of the mRNA capping apparatus. Prog Nucl Acid Res Mol Biol 66: 1-40.
-
(2001)
Prog Nucl Acid Res Mol Biol
, vol.66
, pp. 1-40
-
-
Shuman, S.1
-
52
-
-
0037013858
-
An RNA cap (nucleoside-2′-O-)-methyltransferase in the flavivirus RNA polymerase NS5: Crystal structure and functional characterization
-
Egloff MP, Benarroch D, Selisko B, et al. (2002) An RNA cap (nucleoside-2′-O-)-methyltransferase in the flavivirus RNA polymerase NS5: crystal structure and functional characterization. EMBO J 21(11): 2757-2768.
-
(2002)
EMBO J
, vol.21
, Issue.11
, pp. 2757-2768
-
-
Egloff, M.P.1
Benarroch, D.2
Selisko, B.3
-
53
-
-
4143116991
-
A structural basis for the inhibition of the NS5 dengue virus mRNA 2′-O-methyltransferase domain by ribavirin 5′-triphosphate
-
Benarroch D, Egloff MP, Mulard L, et al. (2004) A structural basis for the inhibition of the NS5 dengue virus mRNA 2′-O-methyltransferase domain by ribavirin 5′-triphosphate. J Biol Chem 279(34): 35638-35643.
-
(2004)
J Biol Chem
, vol.279
, Issue.34
, pp. 35638-35643
-
-
Benarroch, D.1
Egloff, M.P.2
Mulard, L.3
-
55
-
-
0037374498
-
The price of innovation: New estimates of drug development costs
-
DiMasi JA, Hansen RW, Grabowski HG. (2003) The price of innovation: new estimates of drug development costs. J Health Econ 22(2): 151-185.
-
(2003)
J Health Econ
, vol.22
, Issue.2
, pp. 151-185
-
-
DiMasi, J.A.1
Hansen, R.W.2
Grabowski, H.G.3
-
56
-
-
84969160623
-
Revolutionising medicine
-
S Emmot, S Rison (eds.), Microsoft
-
Peitsch MC, Searls DB, Shapiro E, Ferguson N. (2006) Revolutionising medicine. In S Emmot, S Rison (eds.), Towards 2020 Science. Microsoft.
-
(2006)
Towards 2020 Science
-
-
Peitsch, M.C.1
Searls, D.B.2
Shapiro, E.3
Ferguson, N.4
-
57
-
-
24344452056
-
Computational chemistry at novartis
-
Lewis R, Ertl P, Jacoby E, et al. (2005) Computational chemistry at novartis. Chimia 59(7-8): 545-549.
-
(2005)
Chimia
, vol.59
, Issue.7-8
, pp. 545-549
-
-
Lewis, R.1
Ertl, P.2
Jacoby, E.3
-
58
-
-
32144432437
-
The SWISS-MODEL workspace: A web-based environment for protein structure homology modelling
-
Arnold K, Bordoli L, Kopp J, Schwede T. (2006) The SWISS-MODEL workspace: A web-based environment for protein structure homology modelling. Bioinformatics 22(2): 195-201.
-
(2006)
Bioinformatics
, vol.22
, Issue.2
, pp. 195-201
-
-
Arnold, K.1
Bordoli, L.2
Kopp, J.3
Schwede, T.4
-
59
-
-
36549076926
-
-
Rezza G, Nicoletti L, Angelini R, et al. CHIKV study group. (2007) http://www.ncbi.nlm.nih.gov/sites/entrez?Db=pubmed&CmdShowDetailView&Te. Infection with chikungunya virus in Italy: an outbreak in a temperature region. Lancet 1 370(9620): 1840-1846.
-
(2007)
Lancet 1
, vol.370
, Issue.9620
, pp. 1840-1846
-
-
Rezza, G.1
Nicoletti, L.2
Angelini, R.3
-
60
-
-
33750607033
-
Imported dengue fever in Austria 1990-2005
-
Laferl H, Szell M, Bischof E, Wenisch C. (2006) Imported dengue fever in Austria 1990-2005. Travel Med Infect Dis 4(6): 319-323.
-
(2006)
Travel Med Infect Dis
, vol.4
, Issue.6
, pp. 319-323
-
-
Laferl, H.1
Szell, M.2
Bischof, E.3
Wenisch, C.4
|