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Automated docking

J M and J S Dixon 1993. A Good Ligand Is Hard to Find Automated Docking Methods. spectives in Drug Discovery and Design 1 301-319. [Pg.736]

D S and A J Olson 1990 Automated Docking of Substrates to Proteins by Simulated ealing. Proteins Structure, Function and Genetics 8 195-202. [Pg.738]

C, B K Shoichet and ID Kuntz 1992. Automated Docking with Grid-Based Energy Evaluation. mal of Computational Chemistry 13 505-524. [Pg.740]

IV, ] Ruppert and A N Jain 1996. Hammerhead Fast, Fully Automated Docking of Flexible ands to Protein Binding Sites. Chemistry and Biology 3 449-462. [Pg.742]

EC Meng, BK Shoichet, ID Kuntz. Automated docking with grid-based energy evaluation. J Comput Chem 13 505-524, 1992. [Pg.366]

DS Goodsell, AJ Olson. Automated docking of substrates to proteins by simulated annealing. Proteins Struct Funct Genet 8 195-202, 1990. [Pg.366]

Blaney JM, Dixon JS. A good ligand is hard to find Automated docking methods. Perspect Drug Discovery Design 1993 1 301-19. [Pg.48]

Schneider G, Bohm H J. Virtual screening and fast automated docking methods. Drug Discov Today 2002 7 64-70. [Pg.417]

The techniques for automated docking fall into two categories ... [Pg.202]

Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. and Olson, A.J. (1998). Automated docking using a lamarckian genetic algorithm and empirical binding free energy function. Journal of Computational Chemistry 19 1639-1662. [Pg.204]

Morris GM, GoodseU DS, Huey R, Olson AJ. 1996. Distributed automated docking of flexible ligands to... [Pg.303]

Goodsell, D.S., Lauble, H., Stout, C.D., Olson, A.J. Automated docking in crystallography analysis of the substrates of aconitase. Proteins Struct., Funct.,... [Pg.21]

Welch, W., Ruppert, J., and Jain, A.N. Hammerhead fast, fully automated docking of flexible ligands to protein binding sites. Chem. Biol. 1996, 3, 449-462. [Pg.111]

Osterberg, F., Morris, G.M., Sanner, M.F., Olson, A.J. and Goodsell, D.S. (2002) Automated docking to multiple target structures incorporation of protein mobility and structural water heterogeneity inAutoDock. Proteins, 46, 34—40. [Pg.80]

Morris, G. M., et al. (1998) Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 19, 1638-1662. [Pg.507]

Meng, E., Shoichet, B.K., Kuntz. I.D. Automated Docking with Grid-based Energy Evaluation. J. Comput. Chem. 1992, 13, 505-524. [Pg.244]

Miigge, I., Podlogary, B.L. 3D Quantitative Structure-Activity Relationships of Biphenyl Carboxylic Acid MMP-3 Inhibitors Exploring Automated Docking as Alignment Method. Quant. Struct.-Act. Relat. 2001, 20, 215-223. [Pg.247]

Key Words In silico docking AutoDock FlexX GOLD virtual screening automated docking molecular docking. [Pg.63]

Automated docking programs (AutoDock v3.0.5, FlexX, GOLD v2.1)... [Pg.65]

DOCK Automated docking program with incremental construction and random search algorithm and force field-based scoring function... [Pg.445]

See other pages where Automated docking is mentioned: [Pg.288]    [Pg.683]    [Pg.56]    [Pg.280]    [Pg.12]    [Pg.24]    [Pg.49]    [Pg.21]    [Pg.106]    [Pg.191]    [Pg.231]    [Pg.233]    [Pg.64]    [Pg.67]    [Pg.84]    [Pg.89]    [Pg.90]    [Pg.4]    [Pg.436]    [Pg.441]    [Pg.445]   
See also in sourсe #XX -- [ Pg.436 , Pg.449 , Pg.453 , Pg.458 ]

See also in sourсe #XX -- [ Pg.41 , Pg.43 ]

See also in sourсe #XX -- [ Pg.68 ]



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Automated docking programs

Automated ligand-protein docking

Automated ligand-protein docking applications

Automated ligand-protein docking prediction

Docking

Docks

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