School of Biotechnology
Madurai Kamaraj University, Madurai
Dr.K.Dharmalingam (Scientist in Charge)
Computer Graphics or Molecular
Modelling is a mechanism whereby structural analysis, molecular design,
databases of experimental information & molecular structure, and computed
molecular properties were brought together as a powerful collection of tools for
answering chemical and biological questions. Presently, the impact of computer graphics is
extensively felt because of the rapid development of new computing and
graphics technology. This has
allowed the scientists to understand and explore the structure and functional
relationship of molecules at their atomic level.
Such a way of seeing the macromolecules interact has been shown to be
necessary to find ways of comprehending the situation and making attempts to
redesign the interacting molecules.
The success of protein engineering
today is a result of the combination of genetic manipulation techniques and
three-dimensional modelling advances. Thus
for example more efficient enzymes and viruses with altered immune responses are
constructed. How the proteins
and nucleic acids interact with themselves as for example in protein-DNA
binding, receptor attachment antibody recognition - and in relation to the
smaller molecular weight ligands can be seen, understood and simulated in real
time using high resolution graphics facilities.
Molecular dynamics calculations can be checked using the graphics.
Real time manipulations of the interactions can be done by moving the
molecules on the screen and seeing the effect in three
dimensions along with the energy of the interactions.