-
1
-
-
39449120398
-
Protein-ligand docking: A review of recent advances and future perspectives
-
DOI 10.2174/157341208783497597
-
Protein-ligand docking: A review of recent advances and future perspectives. M Vaque A Ardrevol C Blade MJ Salvado M Blay J Fernandez-Larrea L Arola G Pujadas, Curr Pharm Anal 2008 4 1 19 10.2174/157341208783497597 (Pubitemid 351266958)
-
(2008)
Current Pharmaceutical Analysis
, vol.4
, Issue.1
, pp. 1-19
-
-
Vaque, M.1
Ardevol, A.2
Blade, C.3
Salvado, M.J.4
Blay, M.5
Fernandez-Larrea, J.6
Arola, L.7
Pujadas, G.8
-
2
-
-
33744551693
-
Structure-based virtual screening of chemical libraries for drug discovery
-
10.1016/j.cbpa.2006.04.002. 16675286
-
Structure-based virtual screening of chemical libraries for drug discovery. S Ghosh A Nie J An Z Huang, Curr Opin Chem Biol 2006 10 194 202 10.1016/j.cbpa.2006.04.002 16675286
-
(2006)
Curr Opin Chem Biol
, vol.10
, pp. 194-202
-
-
Ghosh, S.1
Nie, A.2
An, J.3
Huang, Z.4
-
3
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. GM Morris DS Goodsell RS Halliday R Huey WE Hart RK Belew AJ Olson, J Comput Chem 1998 19 1639 1662 10.1002/(SICI)1096- 987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B
-
(1998)
J Comput Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
4
-
-
76149120388
-
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
-
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. O Trott AJ Olson, J Comput Chem 2009 31 455 466
-
(2009)
J Comput Chem
, vol.31
, pp. 455-466
-
-
Trott, O.1
Olson, A.J.2
-
5
-
-
33748276474
-
Protein-ligand docking: Current status and future challenges
-
10.1002/prot.21082. 16862531
-
Protein-ligand docking: current status and future challenges. SF Sousa PA Fernandes MJ Ramos, Proteins 2006 65 15 26 10.1002/prot.21082 16862531
-
(2006)
Proteins
, vol.65
, pp. 15-26
-
-
Sousa, S.F.1
Fernandes, P.A.2
Ramos, M.J.3
-
6
-
-
33847356832
-
Molecular-docking-guided design, synthesis, and biologic evaluation of radioiodinated quinazolinone prodrugs
-
10.1021/jm060944k. 17256924
-
Molecular-docking-guided design, synthesis, and biologic evaluation of radioiodinated quinazolinone prodrugs. K Chen AF Aowad SJ Adelstein AI Kassis, J Med Chem 2007 50 663 673 10.1021/jm060944k 17256924
-
(2007)
J Med Chem
, vol.50
, pp. 663-673
-
-
Chen, K.1
Aowad, A.F.2
Adelstein, S.J.3
Kassis, A.I.4
-
7
-
-
11144229113
-
Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors
-
10.1021/jm049504o. 15615517
-
Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors. C Li L Xu DW Wolan IA Wilson AJ Olson, J Med Chem 2004 47 6681 6690 10.1021/jm049504o 15615517
-
(2004)
J Med Chem
, vol.47
, pp. 6681-6690
-
-
Li, C.1
Xu, L.2
Wolan, D.W.3
Wilson, I.A.4
Olson, A.J.5
-
8
-
-
70349932423
-
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
-
10.1002/jcc.21256. 19399780
-
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. GM Morris R Huey W Lindstrom MF Sanner RK Belew DS Goodsell AJ Olson, J Comput Chem 2009 30 2785 2791 10.1002/jcc.21256 19399780
-
(2009)
J Comput Chem
, vol.30
, pp. 2785-2791
-
-
Morris, G.M.1
Huey, R.2
Lindstrom, W.3
Sanner, M.F.4
Belew, R.K.5
Goodsell, D.S.6
Olson, A.J.7
-
9
-
-
33748173818
-
BDT: An easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock
-
10.1093/bioinformatics/btl197. 16720587
-
BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock. M Vaque A Arola C Aliagas G Pujadas, Bioinformatics 2006 22 1803 1804 10.1093/bioinformatics/ btl197 16720587
-
(2006)
Bioinformatics
, vol.22
, pp. 1803-1804
-
-
Vaque, M.1
Arola, A.2
Aliagas, C.3
Pujadas, G.4
-
10
-
-
77953325845
-
Ligand docking and binding site analysis with PyMOL and Autodock/Vina
-
10.1007/s10822-010-9352-6. 20401516
-
Ligand docking and binding site analysis with PyMOL and Autodock/Vina. D Seeliger BL de Groot, J Comput Aided Mol Des 2010 24 417 22 10.1007/s10822-010- 9352-6 20401516
-
(2010)
J Comput Aided Mol des
, vol.24
, pp. 417-22
-
-
Seeliger, D.1
De Groot, B.L.2
-
11
-
-
40749120187
-
DOVIS: An implementation for high-throughput virtual screening using AutoDock
-
10.1186/1471-2105-9-126. 18304355
-
DOVIS: an implementation for high-throughput virtual screening using AutoDock. S Zhang K Kumar X Jiang A Wallqvist J Reifman, BMC Bioinformatics 2008 9 126 10.1186/1471-2105-9-126 18304355
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 126
-
-
Zhang, S.1
Kumar, K.2
Jiang, X.3
Wallqvist, A.4
Reifman, J.5
-
12
-
-
52249109585
-
DOVIS 2.0: An efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
-
10.1186/1752-153X-2-18. 18778471
-
DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. X Jiang K Kumar X Hu A Wallqvist J Reifman, Chem Cent J 2008 2 18 10.1186/1752-153X-2-18 18778471
-
(2008)
Chem Cent J
, vol.2
, pp. 18
-
-
Jiang, X.1
Kumar, K.2
Hu, X.3
Wallqvist, A.4
Reifman, J.5
-
17
-
-
0001873476
-
LAM: An Open Cluster Environment for MPI
-
LAM: An Open Cluster Environment for MPI. G Burns R Daoud J Vaigl, Proceedings of Supercomputing Symposium: 1994; University of Toronto, Toronto, Canada, Ross JW, 1994 379 386
-
(1994)
Proceedings of Supercomputing Symposium: 1994; University of Toronto, Toronto, Canada Ross JW
, pp. 379-386
-
-
Burns, G.1
Daoud, R.2
Vaigl, J.3
|