|
Over the past few years, chem/bioinformatics have rapidly evolved,
it is increasingly recognized that combining and integrating
these approaches is crucial for their successful application
in drug discovery. The followings are listing the inhouse software
which eveloping for chem/bioinformatics at the BMD research
center.
Molecular modeling and cheminformatics are becoming an essential
component of drug discovery in every pharmaceutical industry.
Rational drug design methods accelerate the process by speeding
up the discovery of new chemical entities that may become new
drugs.
Quantum mechanical calculations such as AM1/PM3, HF and DFT
methods are essential for investigating the optical properties
and structure optimization of light emitting compounds. On the
basis of these results, one can design molecules of high efficiency
and stability.
|