-
1
-
-
1642357706
-
The many roles of computation in drug discovery
-
Jorgensen WL. The many roles of computation in drug discovery. Science 2004; 303(5665): 1813-1818
-
(2004)
Science
, vol.303
, Issue.5665
, pp. 1813-1818
-
-
Jorgensen, W.L.1
-
2
-
-
42949179198
-
Current topics in computer-aided drug design
-
Taft CA, Da Silva VB, Da Silva CH. Current topics in computer-aided drug design. J Pharm Sci 2008; 97(3): 1089-1098
-
(2008)
J Pharm Sci
, vol.97
, Issue.3
, pp. 1089-1098
-
-
Taft, C.A.1
Da Silva, V.B.2
Da Silva, C.H.3
-
3
-
-
38549117345
-
Computer-aided drug discovery and development (CADDD): In M'ftco-chemico-biological approach
-
Kapetanovic IM. Computer-aided drug discovery and development (CADDD): In M'ftco-chemico-biological approach. Chem Biol Interact 2008; 171(2): 165-176
-
(2008)
Chem Biol Interact
, vol.171
, Issue.2
, pp. 165-176
-
-
Kapetanovic, I.M.1
-
4
-
-
46749095500
-
From virtuality to reality - Virtual screening in lead discovery and lead optimization: A medicinal chemistry perspective
-
Rester U. From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective. Curr Opin Drug Discov Dev 2008; 11(4): 559-568
-
(2008)
Curr Opin Drug Discov Dev
, vol.11
, Issue.4
, pp. 559-568
-
-
Rester, U.1
-
5
-
-
33847207834
-
Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches
-
Eckert H, Bajorath J. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Drug Discov Today 2007; 12(5-6): 225-233
-
(2007)
Drug Discov Today
, vol.12
, Issue.5-6
, pp. 225-233
-
-
Eckert, H.1
Bajorath, J.2
-
6
-
-
34548288600
-
Virtual screening in drug discovery - A computational perspective
-
Reddy AS, Pati SP, Kumar PP, Pradeep HN, Sastry GN. Virtual screening in drug discovery - a computational perspective. Curr Protein Pept Sci 2007; 8(4): 329-351
-
(2007)
Curr Protein Pept Sci
, vol.8
, Issue.4
, pp. 329-351
-
-
Reddy, A.S.1
Pati, S.P.2
Kumar, P.P.3
Pradeep, H.N.4
Sastry, G.N.5
-
7
-
-
34548200847
-
Structure-based drug design: Docking and scoring
-
Kroemer RT. Structure-based drug design: docking and scoring. Curr Protein Pept Sci 2007; 8(4): 312-328
-
(2007)
Curr Protein Pept Sci
, vol.8
, Issue.4
, pp. 312-328
-
-
Kroemer, R.T.1
-
8
-
-
21544474149
-
Keynote review: Structural biology and drug discovery
-
Congreve M, Murray CW, Blundell TL. Keynote review: Structural biology and drug discovery. Drug Discov Today 2005; 10(13):895-907.
-
(2005)
Drug Discov Today
, vol.10
, Issue.13
, pp. 895-907
-
-
Congreve, M.1
Murray, C.W.2
Blundell, T.L.3
-
9
-
-
33745199815
-
Virtual ligand screening: Strategies, perspectives and limitations
-
Klebe G. Virtual ligand screening: strategies, perspectives and limitations. Drug Discov Today 2006; 11(13-14): 580-594
-
(2006)
Drug Discov Today
, vol.11
, Issue.13-14
, pp. 580-594
-
-
Klebe, G.1
-
11
-
-
33750831586
-
Using grid techniques for drug target identification
-
Jiang Z, Lu F, Zhang J. Using grid techniques for drug target identification. J Drug Target 2006; 14(9): 623-631
-
(2006)
J Drug Target
, vol.14
, Issue.9
, pp. 623-631
-
-
Jiang, Z.1
Lu, F.2
Zhang, J.3
-
13
-
-
0032218229
-
A security architecture for computational grids
-
November 3-5, San Francisco. New York, NY: ACM Press
-
Foster I, Kesselman C, Tsudik G, Tuecke S. A Security Architecture for Computational Grids. In: Proceedings of the 5th ACM Conference on Computer and Communications Security. November 3-5, 1998, San Francisco. New York, NY: ACM Press. pp. 83-92.
-
(1998)
Proceedings of the 5th ACM Conference on Computer and Communications Security
, pp. 83-92
-
-
Foster, I.1
Kesselman, C.2
Tsudik, G.3
Tuecke, S.4
-
14
-
-
33645331577
-
The promise of a virtual lab in drug discovery
-
Rauwerda H, Roos M, Hertzberger BO, Breit TM. The promise of a virtual lab in drug discovery. Drug Discov Today 2006; 11(5-6):228-236
-
(2006)
Drug Discov Today
, vol.11
, Issue.5-6
, pp. 228-236
-
-
Rauwerda, H.1
Roos, M.2
Hertzberger, B.O.3
Breit, T.M.4
-
15
-
-
77950839811
-
-
URL, [accessed on, Sep 2]
-
Kurniawan FH. myGrid. Available from: URL: http://www.mygrid.org.uk/ [accessed on 2008 Sep 2].
-
(2008)
-
-
Kurniawan, F.H.1
-
17
-
-
34250677669
-
Using Grid technology for computationally intensive applied bioinformatics analyses
-
Andrade J, Berglund L, Uhlén M, Odeberg J. Using Grid technology for computationally intensive applied bioinformatics analyses. In Silico Biol 2006; 6(6): 495-504.
-
(2006)
Silico Biol
, vol.6
, Issue.6
, pp. 495-504
-
-
Andrade, J.1
Berglund, L.2
Uhlén, M.3
Odeberg, J.4
-
20
-
-
74749097123
-
An approach to protein folding on the grid - EUChinaGRID experience
-
Malawski M, Szepieniec T, Kochanczyk M, Piwowar M, Roterman I. An approach to protein folding on the grid - EUChinaGRID experience. Bio-Algorithms Med-Syst 2007; 3(5): 45-50.
-
(2007)
Bio-Algorithms Med-Syst
, vol.3
, Issue.5
, pp. 45-50
-
-
Malawski, M.1
Szepieniec, T.2
Kochanczyk, M.3
Piwowar, M.4
Roterman, I.5
-
21
-
-
67649098269
-
High throughput protein structure prediction in a grid environment
-
Minervini G, Rocca G, Luisi P, Polticelli F. High Throughput Protein Structure Prediction In A Grid Environment. Bio-Algorithms Med-Syst 2007; 3(5): 39-43.
-
(2007)
Bio-Algorithms Med-Syst
, vol.3
, Issue.5
, pp. 39-43
-
-
Minervini, G.1
Rocca, G.2
Luisi, P.3
Polticelli, F.4
-
22
-
-
18844401666
-
Biological sequence alignment on the computational grid using the GrADS framework
-
Yarkhan A, Dongarra JJ. Biological sequence alignment on the computational grid using the GrADS framework. Future Generation Comput Syst 2005; 21(6): 980-986
-
(2005)
Future Generation Comput Syst
, vol.21
, Issue.6
, pp. 980-986
-
-
Yarkhan, A.1
Dongarra, J.J.2
-
24
-
-
77950836377
-
-
SETI@home, [accessed, Sep 2]
-
SETI@home. Available from: URL: http://setiathome.berkeley.edu/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
25
-
-
77950843493
-
-
Screensaver Lifesaver - University of Oxford, [accessed, Sep 2]
-
Screensaver Lifesaver - University of Oxford. Available from: URL: http://www.chem.ox.ac.uk/curecancer.html [accessed 2008 Sep 2].
-
(2008)
-
-
-
26
-
-
0036633496
-
Virtual screening using grid computing: The screensaver project
-
Richards WG. Virtual screening using grid computing: the screensaver project. Nat Rev Drug Discov 2002; 1(7): 551-555
-
(2002)
Nat Rev Drug Discov
, vol.1
, Issue.7
, pp. 551-555
-
-
Richards, W.G.1
-
27
-
-
77950802704
-
-
Treweren Consultants, [accessed, Sep 2]
-
Treweren Consultants. Available from: URL: http://www.treweren.com/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
28
-
-
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(4): 289-307.
-
(2003)
J Mol Graph Model
, vol.21
, Issue.4
, pp. 289-307
-
-
Venkatachalam, C.M.1
Jiang, X.2
Oldfield, T.3
Waldman, M.4
-
29
-
-
77950832112
-
-
Discovering Dengue Drug-Together, [accessed on, Sep 2]
-
Discovering Dengue Drug-Together. Available from: URL: http://www.utmb.edu/discoveringdenguedrugs% 2Dtogether/ [accessed on 2008 Sep 2].
-
(2008)
-
-
-
30
-
-
77950813933
-
-
FightAIDS@Home [accessed, Sep 2]
-
FightAIDS@Home [accessed 2008 Sep 2]. Available from: URL:http://fightaidsathome.scripps.edu/index.html.
-
(2008)
-
-
-
31
-
-
77950826077
-
-
The WISDOM project [accessed, Sep 2]
-
The WISDOM project [accessed 2008 Sep 2]. Available from: URL: http://wisdom.healthgrid.org/.
-
(2008)
-
-
-
32
-
-
38949123200
-
Grid-enabled Virtual Screening against malaria
-
Jacq N, Salzemann J, Jacq F, et al. Grid-enabled Virtual Screening against malaria. J Grid Comput 2008; 6(1): 29-43.
-
(2008)
J Grid Comput
, vol.6
, Issue.1
, pp. 29-43
-
-
Jacq, N.1
Salzemann, J.2
Jacq, F.3
-
33
-
-
0037232785
-
The virtual laboratory. A toolset to enable distributed molecular modeling for drug design on the world-wide grid
-
Buyya R, Branson K, Giddy J, Abramson D. The virtual laboratory. a toolset to enable distributed molecular modeling for drug design on the world-wide grid. Concurrency Computat Pract Exper 2003;15(1): 1-25.
-
(2003)
Concurrency Computat Pract Exper
, vol.15
, Issue.1
, pp. 1-25
-
-
Buyya, R.1
Branson, K.2
Giddy, J.3
Abramson, D.4
-
34
-
-
77950853641
-
-
database, [accessed, Sep 2]
-
ZINC database; 2006. Available from: URL: http://zinc.docking.org/ [accessed 2008 Sep 2].
-
(2006)
-
-
-
35
-
-
13844312649
-
ZINC-a free database of commercially available compounds for virtual screening
-
Irwin JJ, Shoichet BK. ZINC-a free database of commercially available compounds for virtual screening. J Chem Inf Model 2005;45(1): 177-182
-
(2005)
J Chem Inf Model
, vol.45
, Issue.1
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
36
-
-
0030599010
-
A fast flexible docking method using an incremental construction algorithm
-
M. Rarey, B. Kramer, T. Lengauer, G. Klebe. A fast flexible docking method using an incremental construction algorithm. J Mol Biol 1996; 261(5): 470-489.
-
(1996)
J Mol Biol
, vol.261
, Issue.5
, pp. 470-489
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
Klebe., G.4
-
37
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris GM, Goodsell DS, Huey R, et al. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J Comput Chem 1998; 19: 1639-1662
-
(1998)
J Comput Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Huey, R.3
-
38
-
-
35248866302
-
Design of new plasmepsin inhibitors: A virtual high throughput screening approach on the EGEE grid
-
Kasam V, Zimmermann M, Maass A, et al. Design of new plas- mepsin inhibitors: a virtual high throughput screening approach on the EGEE grid. J Chem Inf Model 2007; 47(5): 1818-1828
-
(2007)
J Chem Inf Model
, vol.47
, Issue.5
, pp. 1818-1828
-
-
Kasam, V.1
Zimmermann, M.2
Maass, A.3
-
39
-
-
34548575890
-
Grid enabled high throughput virtual screening against four different targets implicated in malaria
-
Salzemann J, Kasam V, Jacq N, Maass A, Schwichtenberg H, Breton V. Grid enabled high throughput virtual screening against four different targets implicated in malaria. Stud Health Technol Inform 2007; 126: 47-54.
-
(2007)
Stud Health Technol Inform
, vol.126
, pp. 47-54
-
-
Salzemann, J.1
Kasam, V.2
Jacq, N.3
Maass, A.4
Schwichtenberg, H.5
Breton, V.6
-
40
-
-
77950826757
-
-
Enabling Grids for E-sciencE (EGEE) project, [accessed, Sep 2]
-
Enabling Grids for E-sciencE (EGEE) project; 2006. Available from: URL: http://www.eu-egee.org [accessed 2008 Sep 2].
-
(2006)
-
-
-
41
-
-
25144521010
-
Building an infrastructure for scientific Grid computing: Status and goals of the EGEE project
-
Gagliardi F, Jones B, Grey F, Begin M, Heikkurinen M. Building an infrastructure for scientific Grid computing: status and goals of the EGEE project. Philos Transact A Math Phys Eng Sci 2005;363(1833): 1729-1742
-
(2005)
Philos Transact A Math Phys Eng Sci
, vol.363
, Issue.1833
, pp. 1729-1742
-
-
Gagliardi, F.1
Jones, B.2
Grey, F.3
Begin, M.4
Heikkurinen, M.5
-
42
-
-
77950838762
-
-
BioInfoGRID, [accessed, Sep 2]
-
BioInfoGRID. Available from: URL: http://www.bioinfogrid.eu/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
43
-
-
0032466648
-
Continuum solvent studies of the stability of RNA hairpin loops and helices
-
Srinivasan J, Miller J, Kollman PA, Case DA. Continuum solvent studies of the stability of RNA hairpin loops and helices. J Biomol Struct Dyn 1998; 16(3): 671-682. (Pubitemid 29100322)
-
(1998)
Journal of Biomolecular Structure and Dynamics
, vol.16
, Issue.3
, pp. 671-682
-
-
Srinivasan, J.1
Miller, J.2
Kollman, P.A.3
Case, D.A.4
-
44
-
-
0034521981
-
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
-
Kollman PA, Massova I, Reyes C, et al. Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. Acc Chem Res 2000; 33(12):889-897
-
(2000)
Acc Chem Res
, vol.33
, Issue.12
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
-
45
-
-
77950812330
-
-
Amber: Molecular dynamics software, [accessed, Sep 2]
-
Amber: Molecular dynamics software. Available from: URL:http://amber. scripps.edu/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
46
-
-
23444454552
-
The Amber bio-molecular simulation programs
-
Case DA, Cheatham TE, 3rd, Darden T, et al. The Amber bio-molecular simulation programs. J Comput Chem 2005; 26(16):1668-1688
-
(2005)
J Comput Chem
, vol.26
, Issue.16
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
-
47
-
-
53249138390
-
Virtual High Throughput Screening (vHTS) on an Optical High Speed Testbed
-
Shahid M, Ziegler W, Kasam V, Zimmermann M, Hofmann-Apitius M. Virtual High Throughput Screening (vHTS) on an Optical High Speed Testbed. Stud Health Technol Inform 2008; 138: 125-134
-
(2008)
Stud Health Technol Inform
, vol.138
, pp. 125-134
-
-
Shahid, M.1
Ziegler, W.2
Kasam, V.3
Zimmermann, M.4
Hofmann-Apitius, M.5
-
48
-
-
77950846577
-
-
Virtual Organisations for Trials and Epidemiological Studies, [accessed, Sep 2]
-
Virtual Organisations for Trials and Epidemiological Studies. Available from: URL: http://labserv.nesc.gla.ac.uk/projects/votes/index.html [accessed 2008 Sep 2].
-
(2008)
-
-
-
50
-
-
70350122272
-
User oriented access to secure biomedical resources through the grid
-
Yokohama Japan
-
Sinnott RO, Ajayi O, Jiang J, Stell AJ, Watt J. User Oriented Access to Secure Biomedical Resources through the Grid. In: Proceedings of Life Science Grid Conference. Yokohama, Japan;2006.
-
(2006)
Proceedings of Life Science Grid Conference
-
-
Sinnott, R.O.1
Ajayi, O.2
Jiang, J.3
Stell, A.J.4
Watt, J.5
-
51
-
-
46149125754
-
Shibboleth-based access to and usage of grid resources
-
editor. 7th IEEE/ACM International Conference on Grid Computing
-
Sinnott RO, Jiang J, Watt J, Ajayi O. Shibboleth-based Access to and Usage of Grid Resources. In: IEEE, editor. 7th IEEE/ACM International Conference on Grid Computing; 2006. pp. 136-143
-
(2006)
IEEE
, pp. 136-143
-
-
Sinnott, R.O.1
Jiang, J.2
Watt, J.3
Ajayi, O.4
-
52
-
-
77950831712
-
-
Shibboleth®, [accessed, Sep 2]
-
Shibboleth®. Available from: URL: http://shibboleth.internet2.edu/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
53
-
-
0038792292
-
Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking
-
Vangrevelinghe E, Zimmermann K, Schoepfer J, Portmann R, Fabbro D, Furet P. Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking. J Med Chem 2003; 46(13): 2656-2662
-
(2003)
J Med Chem
, vol.46
, Issue.13
, pp. 2656-2662
-
-
Vangrevelinghe, E.1
Zimmermann, K.2
Schoepfer, J.3
Portmann, R.4
Fabbro, D.5
Furet, P.6
-
54
-
-
77950810200
-
-
[accessed, Sep 2]
-
Univa UD. Available from: URL: http://www.univaud.com/ [accessed 2008 Sep 2].
-
(2008)
-
-
Univa, U.D.1
-
56
-
-
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(2): 269-288
-
(1982)
J Mol Biol
, vol.161
, Issue.2
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
57
-
-
20444445386
-
Web services in the life sciences
-
Curcin V, Ghanem M, Guo Y. Web services in the life sciences. Drug Discov Today 2005; 10(12): 865-871
-
(2005)
Drug Discov Today
, vol.10
, Issue.12
, pp. 865-871
-
-
Curcin, V.1
Ghanem, M.2
Guo, Y.3
-
58
-
-
12444302237
-
Manuel Peitsch discusses knowledge management and informatics in drug discovery
-
Watson C. Manuel Peitsch discusses knowledge management and informatics in drug discovery. Drug Discov Today 2004; 2(3): 94-96
-
(2004)
Drug Discov Today
, vol.2
, Issue.3
, pp. 94-96
-
-
Watson, C.1
-
59
-
-
77950855810
-
-
Institut de Biologie et Chimie des Proteines. NPS@: Welcome to Network Protein Sequence @nalysis at IBCP FRANCE. [accessed, Sep 2]
-
Institut de Biologie et Chimie des Proteines. NPS@: Welcome to Network Protein Sequence @nalysis at IBCP, FRANCE. Available from: URL: http://gpsa-pbil.ibcp.fr/cgi-bin/npsa-automat.pl?page=/NPSAnpsa-server.html [accessed 2008 Sep 2].
-
(2008)
-
-
-
60
-
-
0034161321
-
NPS@: Network protein sequence analysis
-
Combet C, Blanchet C, Geourjon C, Deléage G. NPS@: Network Protein Sequence Analysis. Trends Biochem Sci 2000; 25(3): 147-150
-
(2000)
Trends Biochem Sci
, vol.25
, Issue.3
, pp. 147-150
-
-
Combet, C.1
Blanchet, C.2
Geourjon, C.3
Deléage, G.4
-
62
-
-
77950792841
-
-
[accessed, Sep 2]
-
CHARMMing Web interface. Available from: URL: http://www.charmming.org [accessed 2008 Sep 2].
-
(2008)
Web Interface
-
-
-
63
-
-
54249092923
-
CHARMMing: A new, flexible web portal for CHARMM
-
Miller BT, Singh RP, Klauda JB, Hodošček M, Brooks BR, Woodcock HL. CHARMMing: a new, flexible web portal for CHARMM. J Chem Inf Model 2008; 48(9): 1920-1929
-
(2008)
J Chem Inf Model
, vol.48
, Issue.9
, pp. 1920-1929
-
-
Miller, B.T.1
Singh, R.P.2
Klauda, J.B.3
Hodošček, M.4
Brooks, B.R.5
Woodcock, H.L.6
-
64
-
-
40649094486
-
Towards improving compound selection in structure-based virtual screening
-
Waszkowycz B. Towards improving compound selection in structure-based virtual screening. Drug Discov Today 2008; 13(5-6):219-226
-
(2008)
Drug Discov Today
, vol.13
, Issue.5-6
, pp. 219-226
-
-
Waszkowycz, B.1
-
66
-
-
77950814565
-
-
SciTegic data analysis and reporting platform, [accessed, Sep 2]
-
SciTegic data analysis and reporting platform. Available from: URL: http://accelrys.com/products/scitegic/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
68
-
-
85046820553
-
-
[accessed, Sep 2]
-
KNIME - Konstanz Information Miner. Available from: URL: http://www.knime.org/ [accessed 2008 Sep 2].
-
(2008)
Konstanz Information Miner
-
-
-
69
-
-
10244255212
-
Taverna: A tool for the composition and enactment of bioinformatics workflows
-
Oinn T, Addis M, Ferris J, et al. Taverna: a tool for the composition and enactment of bioinformatics workflows. Bioinformatics 2004; 20(17): 3045-3054
-
(2004)
Bioinformatics
, vol.20
, Issue.17
, pp. 3045-3054
-
-
Oinn, T.1
Addis, M.2
Ferris, J.3
-
70
-
-
77950844282
-
-
[accessed, Sep 2]
-
Tripos. Available from: URL: http://www.tripos.com/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
71
-
-
77950790691
-
-
[accessed, Sep 2]
-
Schrödinger. Available from: URL: http://www.schrodinger.com/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
72
-
-
77950821923
-
-
[accessed, Sep 2]
-
ChemAxon chemistry software toolkit. Available from: URL:http://www. chemaxon.com/ [accessed 2008 Sep 2].
-
(2008)
Chemistry Software Toolkit
-
-
-
73
-
-
77950825305
-
-
The Nodes for KNIME project [accessed, Sep 2]
-
The Nodes for KNIME project [accessed 2008 Sep 2]. Available from: URL:http: //sourceforge.net/projects/nodes4knime/.
-
(2008)
-
-
-
74
-
-
33645860824
-
Integrating molecular design resources within modern drug discovery research: The Roche experience
-
Stahl M, Guba W, Kansy M. Integrating molecular design resources within modern drug discovery research: the Roche experience. Drug Discov Today 2006; 11(7-8): 326-333
-
(2006)
Drug Discov Today
, vol.11
, Issue.7-8
, pp. 326-333
-
-
Stahl, M.1
Guba, W.2
Kansy, M.3
-
75
-
-
0036606204
-
ConsDock: A new program for the consensus analysis of protein-ligand interactions
-
Paul N, Rognan D. ConsDock: A new program for the consensus analysis of protein-ligand interactions. Proteins 2002; 47(4): 521-533
-
(2002)
Proteins
, vol.47
, Issue.4
, pp. 521-533
-
-
Paul, N.1
Rognan, D.2
-
76
-
-
34247197110
-
Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0
-
Corbeil CR, Englebienne P, Moitessier N. Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0. J Chem Inf Model 2007; 47(2): 435-449
-
(2007)
J Chem Inf Model
, vol.47
, Issue.2
, pp. 435-449
-
-
Corbeil, C.R.1
Englebienne, P.2
Moitessier, N.3
-
77
-
-
34250829729
-
Alternative to consensus scoring - A new approach toward the qualitative combination of docking algorithms
-
Wolf A, Zimmermann M, Hofmann-Apitius M. Alternative to consensus scoring - a new approach toward the qualitative combination of docking algorithms. J Chem Inf Model 2007; 47(3):1036-1044
-
(2007)
J Chem Inf Model
, vol.47
, Issue.3
, pp. 1036-1044
-
-
Wolf, A.1
Zimmermann, M.2
Hofmann-Apitius, M.3
-
78
-
-
40349087133
-
Towards the development of universal, fast and highly accurate docking/scoring methods: A long way to go
-
Moitessier N, Englebienne P, Lee D, Lawandi J, Corbeil CR. Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go. Br J Pharmacol 2008; 153 (Suppl 1): S7-26.
-
(2008)
Br J Pharmacol
, vol.153
, Issue.SUPPL 1
-
-
Moitessier, N.1
Englebienne, P.2
Lee, D.3
Lawandi, J.4
Corbeil, C.R.5
-
79
-
-
77950838406
-
-
GRIA - Service Oriented Collaborations for Industry and Commerce, [accessed, Sep 2]
-
GRIA - Service Oriented Collaborations for Industry and Commerce. Available from: URL:http://www.gria.org/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
80
-
-
3343004430
-
The FlexX database docking environment-rational extraction of receptor based pharmacophores
-
Claussen H, Gastreich M, Apelt V, Greene J, Hindle SA, Lemmen C. The FlexX database docking environment-rational extraction of receptor based pharmacophores. Curr Drug Discov Technol 2004;1(1): 49-60.
-
(2004)
Curr Drug Discov Technol
, vol.1
, Issue.1
, pp. 49-60
-
-
Claussen, H.1
Gastreich, M.2
Apelt, V.3
Greene, J.4
Hindle, S.A.5
Lemmen, C.6
-
81
-
-
77950814949
-
-
GoldMine, [accessed, Sep 2]
-
GoldMine. Available from: URL: http://www.ccdc.cam.ac.uk/products/life- sciences/goldmine/ [accessed 2008 Sep 2].
-
(2008)
-
-
-
82
-
-
45949096377
-
Grid computing in large pharmaceutical molecular modeling
-
Claus BL, Johnson SR. Grid computing in large pharmaceutical molecular modeling. Drug Discov Today 2008; 13(13-14): 578-583
-
(2008)
Drug Discov Today
, vol.13
, Issue.13-14
, pp. 578-583
-
-
Claus, B.L.1
Johnson, S.R.2
-
83
-
-
77950852251
-
-
The EU Provenance Project, [accessed, Sep 2]
-
The EU Provenance Project. Available from: URL: http://www. gridprovenance.org/ [accessed 2008 Sep 2].
-
(2008)
-
-
|