-
1
-
-
50249173859
-
-
C.G. Silva, V. Ostropytsky, N. Loureiro-Ferreira, et al. P-found: The protein folding and unfolding simulation repository, in: Proc. 2006 IEEE Symp. on Computational Intelligence in Bioinformatics and Computational Biology, 2006, pp. 101-108, doi:10.1109/CIBCB.2006.330978
-
C.G. Silva, V. Ostropytsky, N. Loureiro-Ferreira, et al. P-found: The protein folding and unfolding simulation repository, in: Proc. 2006 IEEE Symp. on Computational Intelligence in Bioinformatics and Computational Biology, 2006, pp. 101-108, doi:10.1109/CIBCB.2006.330978
-
-
-
-
2
-
-
33750042586
-
Globus toolkit version 4: Software for service-oriented systems
-
Foster I.T. Globus toolkit version 4: Software for service-oriented systems. J. Comput. Sci. Technol. 21 4 (2006) 513-520
-
(2006)
J. Comput. Sci. Technol.
, vol.21
, Issue.4
, pp. 513-520
-
-
Foster, I.T.1
-
3
-
-
33745764955
-
Relating requirements and architectures: A study of data-grids
-
Finkelstein A., Gryce C., and Lewis-Bowen J. Relating requirements and architectures: A study of data-grids. J. Grid Comput. 2 3 (2004) 207-222
-
(2004)
J. Grid Comput.
, vol.2
, Issue.3
, pp. 207-222
-
-
Finkelstein, A.1
Gryce, C.2
Lewis-Bowen, J.3
-
6
-
-
36048988753
-
Grid-enabling data mining applications with DataMiningGrid: An architectural perspective
-
Stankovski V., Swain M., Kravtsov V., et al. Grid-enabling data mining applications with DataMiningGrid: An architectural perspective. Future Gener. Comput. Syst. 24 4 (2008) 259-279
-
(2008)
Future Gener. Comput. Syst.
, vol.24
, Issue.4
, pp. 259-279
-
-
Stankovski, V.1
Swain, M.2
Kravtsov, V.3
-
8
-
-
20044382599
-
The design and implementation of Grid database services in OGSA-DAI
-
Antonioletti M., Atkinson M., Baxter R., et al. The design and implementation of Grid database services in OGSA-DAI. Concurr. Comput. : Pract. Exp. 17 2-4 (2005) 357-376
-
(2005)
Concurr. Comput. : Pract. Exp.
, vol.17
, Issue.2-4
, pp. 357-376
-
-
Antonioletti, M.1
Atkinson, M.2
Baxter, R.3
-
10
-
-
0042415783
-
NAMD2: Greater scalability for parallel molecular dynamics
-
Kalé L., Skeel R., Bhandarkar M., Brunner R., Gursoy A., Krawetz N., Phillips J., Shinozaki A., Varadarajan K., and Schulten K. NAMD2: Greater scalability for parallel molecular dynamics. J. Comput. Phys. 151 1 (1999) 283-312
-
(1999)
J. Comput. Phys.
, vol.151
, Issue.1
, pp. 283-312
-
-
Kalé, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
-
11
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks B.R., Bruccoleri R.E., Olafson B.D., States D.J., Swaminathan S., and Karplus M. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations. J. Comput. Chem. 4 2 (1983) 187-217
-
(1983)
J. Comput. Chem.
, vol.4
, Issue.2
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
12
-
-
0029633168
-
GROMACS: A message-passing parallel molecular dynamics implementation
-
Berendsen H.J.C., van der Spoel D., and van Drunen R. GROMACS: A message-passing parallel molecular dynamics implementation. Comput. Phys. Comm. 91 1-3 (1995) 43-56
-
(1995)
Comput. Phys. Comm.
, vol.91
, Issue.1-3
, pp. 43-56
-
-
Berendsen, H.J.C.1
van der Spoel, D.2
van Drunen, R.3
-
13
-
-
0029633186
-
AMBER, a computer program for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to elucidate the structures and energies of molecules
-
Pearlman D.A., Case D.A., Caldwell J.W., Ross W.R., Cheatham III T.E., DeBolt S., Ferguson D., Seibel G., and Kollman P. AMBER, a computer program for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to elucidate the structures and energies of molecules. Comput. Phys. Comm. 91 1-3 (1995) 1-41
-
(1995)
Comput. Phys. Comm.
, vol.91
, Issue.1-3
, pp. 1-41
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.R.4
Cheatham III, T.E.5
DeBolt, S.6
Ferguson, D.7
Seibel, G.8
Kollman, P.9
-
14
-
-
58149181357
-
A closer look on protein unfolding simulations through hierarchical clustering
-
1-5 April, Honolulu
-
P.G. Ferreira, C.G. Silva, R.M.M. Brito, P.J. Azevedo, A closer look on protein unfolding simulations through hierarchical clustering, in: Proceedings of the IEEE Symposium on Computational Intelligence and Bioinformatics and Computational Biology: 1-5 April 2007, Honolulu, 2007, pp. 461-468
-
(2007)
Proceedings of the IEEE Symposium on Computational Intelligence and Bioinformatics and Computational Biology
, pp. 461-468
-
-
Ferreira, P.G.1
Silva, C.G.2
Brito, R.M.M.3
Azevedo, P.J.4
-
15
-
-
33745292575
-
Detection of hydrophobic clusters in molecular dynamics protein unfolding simulations using association rules
-
Biological and Medical Data Analysis
-
Azevedo P.J., Silva C.G., Rodrigues J.R., Loureiro-Ferreira N., and Brito R.M.M. Detection of hydrophobic clusters in molecular dynamics protein unfolding simulations using association rules. Biological and Medical Data Analysis. Lecture Notes in Computer Science vol. 3745 (2005) 329-337
-
(2005)
Lecture Notes in Computer Science
, vol.3745
, pp. 329-337
-
-
Azevedo, P.J.1
Silva, C.G.2
Rodrigues, J.R.3
Loureiro-Ferreira, N.4
Brito, R.M.M.5
-
16
-
-
0347357617
-
Protein folding and misfolding
-
Dobson C.M. Protein folding and misfolding. Nature 426 6968 (2003) 884-890
-
(2003)
Nature
, vol.426
, Issue.6968
, pp. 884-890
-
-
Dobson, C.M.1
-
18
-
-
0033516512
-
Analysis methods for comparison of multiple molecular dynamics trajectories: Applications to protein unfolding pathways and denatured ensembles
-
Kazmirski S.L., Li A., and Daggett V. Analysis methods for comparison of multiple molecular dynamics trajectories: Applications to protein unfolding pathways and denatured ensembles. J. Mol. Biol. 290 1 (1999) 283-304
-
(1999)
J. Mol. Biol.
, vol.290
, Issue.1
, pp. 283-304
-
-
Kazmirski, S.L.1
Li, A.2
Daggett, V.3
-
19
-
-
3342989779
-
Protein folding and unfolding simulations: A new challenge for data mining
-
Brito R.M.M., Dubitzky W., and Rodrigues J.R. Protein folding and unfolding simulations: A new challenge for data mining. OMICS 8 2 (2004) 153-166
-
(2004)
OMICS
, vol.8
, Issue.2
, pp. 153-166
-
-
Brito, R.M.M.1
Dubitzky, W.2
Rodrigues, J.R.3
-
22
-
-
10044255567
-
On-line analytical processing on large databases managed by computational grids
-
B. Fiser, U. Onan, I. Elsayed, P. Brezany, A. Tjoa, On-line analytical processing on large databases managed by computational grids, in: "Proc. 15th Int. Workshop on Database and Expert Systems Applications", 2004
-
(2004)
Proc. 15th Int. Workshop on Database and Expert Systems Applications
-
-
Fiser, B.1
Onan, U.2
Elsayed, I.3
Brezany, P.4
Tjoa, A.5
-
24
-
-
33751068700
-
Dynamically deploying web services on a grid using dynasoar
-
IEEE Computer Society Press
-
Watson P., Fowler C.P., Kubicek C., et al. Dynamically deploying web services on a grid using dynasoar. Proc. 9th IEEE Int. Symp. on Object and Component-Oriented Real-Time Distributed Computing (ISORC 2006), Gyeongju, Korea (2006), IEEE Computer Society Press 151-158
-
(2006)
Proc. 9th IEEE Int. Symp. on Object and Component-Oriented Real-Time Distributed Computing (ISORC 2006), Gyeongju, Korea
, pp. 151-158
-
-
Watson, P.1
Fowler, C.P.2
Kubicek, C.3
-
25
-
-
33846512402
-
A consensus view of protein dynamics
-
Rueda M., Ferrer-Costa C., Meyer T., Perez A., Camps J., Hospital A., Lluis Gelpi J., and Orozco M. A consensus view of protein dynamics. Proc. Natl. Acad. Sci. 104 3 (2007) 796-801
-
(2007)
Proc. Natl. Acad. Sci.
, vol.104
, Issue.3
, pp. 796-801
-
-
Rueda, M.1
Ferrer-Costa, C.2
Meyer, T.3
Perez, A.4
Camps, J.5
Hospital, A.6
Lluis Gelpi, J.7
Orozco, M.8
-
26
-
-
44649195146
-
Dynameomics: Design of a computational lab workflow and scientific data repository for protein simulations
-
Simms A.M., Toofanny R.D., Kehl C., Benson N.C., and Daggett V. Dynameomics: Design of a computational lab workflow and scientific data repository for protein simulations. PEDS 21 (2008) 369-377
-
(2008)
PEDS
, vol.21
, pp. 369-377
-
-
Simms, A.M.1
Toofanny, R.D.2
Kehl, C.3
Benson, N.C.4
Daggett, V.5
-
27
-
-
44649152369
-
Dynameomics: A multi-dimensional analysis-optimized database for dynamic protein data
-
Kehl C., Simms A.M., Toofanny R.D., and Daggett V. Dynameomics: A multi-dimensional analysis-optimized database for dynamic protein data. PEDS 21 (2008) 379-386
-
(2008)
PEDS
, vol.21
, pp. 379-386
-
-
Kehl, C.1
Simms, A.M.2
Toofanny, R.D.3
Daggett, V.4
-
28
-
-
0033340698
-
Large scale distributed data repository: Design of a molecular dynamics trajectory database
-
Feig M., Abdullah M., Johnsson L., and Pettitt B.M. Large scale distributed data repository: Design of a molecular dynamics trajectory database. Future Gener. Comput. Syst. 16 (1999) 101-110
-
(1999)
Future Gener. Comput. Syst.
, vol.16
, pp. 101-110
-
-
Feig, M.1
Abdullah, M.2
Johnsson, L.3
Pettitt, B.M.4
-
29
-
-
33748182876
-
BioSimGrid: Grid-enabled biomolecular simulation data storage and analysis
-
Ng M.-H., Johnston S., Wu B., et al. BioSimGrid: Grid-enabled biomolecular simulation data storage and analysis. Future Gener. Comput. Syst. 22 6 (2006) 657-664
-
(2006)
Future Gener. Comput. Syst.
, vol.22
, Issue.6
, pp. 657-664
-
-
Ng, M.-H.1
Johnston, S.2
Wu, B.3
|