Cheminformatics

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.

Drug Design

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.

Material Design

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.