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Blind docking of 260 protein-ligand complexes with EADock 2.0.
Grosdidier A, Zoete V, Michielin O. Grosdidier A, et al. J Comput Chem. 2009 Oct;30(13):2021-30. doi: 10.1002/jcc.21202. J Comput Chem. 2009. PMID: 19130502
The promising achievements of the last 10 years emphasize the need for further improvement, as reflected by several recent publications (Leach et al., J Med Chem 2006, 49, 5851; Warren et al., J Med Chem 2006, 49, 5912). Our initial approach, EADock, showed a good performa …
The promising achievements of the last 10 years emphasize the need for further improvement, as reflected by several recent publications (Lea …
Docking to heme proteins.
Röhrig UF, Grosdidier A, Zoete V, Michielin O. Röhrig UF, et al. Among authors: grosdidier a. J Comput Chem. 2009 Nov 15;30(14):2305-15. doi: 10.1002/jcc.21244. J Comput Chem. 2009. PMID: 19288474
Combined simulation and mutagenesis analyses reveal the involvement of key residues for peroxisome proliferator-activated receptor alpha helix 12 dynamic behavior.
Michalik L, Zoete V, Krey G, Grosdidier A, Gelman L, Chodanowski P, Feige JN, Desvergne B, Wahli W, Michielin O. Michalik L, et al. Among authors: grosdidier a. J Biol Chem. 2007 Mar 30;282(13):9666-9677. doi: 10.1074/jbc.M610523200. Epub 2007 Jan 2. J Biol Chem. 2007. PMID: 17200111 Free article.
25 results