Structure-based in silico model profiles the binding constant of poorly soluble drugs with β-cyclodextrin

In silico profiling of tyrosine kinases

In silico profiling of tyrosine kinases binding specificity and drug resistance using Monte Carlo simulations with the ensembles of protein kinase crystal structures

✍ Gennady M. Verkhivker 📂 Article 📅 2007 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 734 KB

## Abstract The molecular basis of the tyrosine kinases binding specificity and drug resistance against cancer drugs Imatinib and Dasatinib is elucidated using Monte Carlo simulations of the inhibitor–receptor binding with the ensembles of protein kinase crystal structures. __In silico__ proteomics