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ACCase dataset

 
   
dataset dataset
 

Modeling data for the redesign of previously identified lead inhibitors of bacterial biotin carboxylase (BC) to expand the spectrum of organisms sensitive to amino-oxazole derivatives. Specifically, we constructed a large combinatorial library of antibiotic candidates, which were subsequently subjected to structure-based virtual screening against several biotin carboxylase isoforms from Gram-negative and Gram-positive species.

  
ACCase dataset
If you use the ACCase dataset, please cite the following paper:
1 Brylinski M, Waldrop GL. (2014) Computational redesign of bacterial biotin carboxylase inhibitors using structure-based virtual screening of combinatorial libraries. Molecules 19 (4): 4021-45.