Regine S. Bohacek

QXP: Powerful, rapid computer algorithms for structure-based drug design

Colin McMartin, Regine S. Bohacek · Journal of Computer-Aided Molecular Design · 1997 · 512 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +12

Inhibition of wild-type and mutant Bcr-Abl by AP23464, a potent ATP-based oncogenic protein kinase inhibitor: implications for CML

Thomas O’Hare, Roy M. Pollock, Eric P. Stoffregen et al. · Blood · 2004 · 199 citations · Full text

Medicine, Medicinal Chemistry, Oncology +8

Multiple Highly Diverse Structures Complementary to Enzyme Binding Sites: Results of Extensive Application of a de Novo Design Method Incorporating Combinatorial Growth

Regine S. Bohacek, Colin McMartin · Journal of the American Chemical Society · 1994 · 187 citations

Pharmacy, Biochemistry, Combinatorial Chemistry +15

Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B through Structure-Based Drug Design

Paul D. Greenspan, Kirk Clark, Rubén Tommasi et al. · Journal of Medicinal Chemistry · 2001 · 136 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +15

Structure-based design of an osteoclast-selective, nonpeptide Src homology 2 inhibitor with <i>in vivo</i> antiresorptive activity

William C. Shakespeare, Michael G. Yang, Regine S. Bohacek et al. · Proceedings of the National Academy of Sciences · 2000 · 133 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +17