Computational Modeling on Binding Interactions of Cyclodextrins with the Human Multidrug Resistance P-glycoprotein
Molecular docking approaches and DFT ab initio simulations were combined for the first time, to study the key interactions of
Tag: docking
CycloMolder software
The CycloMolder software consists of two modules: CycloGen and CycloDock. The first module builds theoretical models to represent a cyclodextrin