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Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
Giulio Rastelli et al.
Chemical biology & drug design 73 (3), 283-6 (Mar 2009)
info:pmid/19207463 | info:doi/10.1111/j.1747-0285.2009.00780.x
Posted by mndoci and 1 other to ProteinSimulation DrugDesign MM-PBSA on Mon Mar 23 2009 at 06:04 UTC | info | related
 
EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin
Proteins 67 (4), 1010-25 (01 Jun 2007)
info:pmid/17380512 | info:doi/10.1002/prot.21367
Posted by mndoci to DrugDesign docking charmm on Sat May 19 2007 at 05:30 UTC | info | related

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