Solubility of Drug Molecules
Researchers
The development of computational models for predicting drug solubility
has increased drastically during the last decades. Nevertheless these
models still have difficulties to estimate the aqueous solubility as
accurately as desired. In this project different aspects that are known
to have a large impact on the aqueous solubility of a molecule are studied
in detail using various theoretical methods, quantum mechanical and
molecular mechanical and both static and dynamics, with intension to
provide microscopic view on drug solubility.
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