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Fast docking using the CHARMM force field with EADock DSS.
Grosdidier A, Zoete V, Michielin O. Grosdidier A, et al. Among authors: zoete v. J Comput Chem. 2011 Jul 30;32(10):2149-59. doi: 10.1002/jcc.21797. Epub 2011 May 3. J Comput Chem. 2011. PMID: 21541955
Docking to heme proteins.
Röhrig UF, Grosdidier A, Zoete V, Michielin O. Röhrig UF, et al. Among authors: zoete v. J Comput Chem. 2009 Nov 15;30(14):2305-15. doi: 10.1002/jcc.21244. J Comput Chem. 2009. PMID: 19288474
Rational design of indoleamine 2,3-dioxygenase inhibitors.
Röhrig UF, Awad L, Grosdidier A, Larrieu P, Stroobant V, Colau D, Cerundolo V, Simpson AJ, Vogel P, Van den Eynde BJ, Zoete V, Michielin O. Röhrig UF, et al. Among authors: zoete v. J Med Chem. 2010 Feb 11;53(3):1172-89. doi: 10.1021/jm9014718. J Med Chem. 2010. PMID: 20055453
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