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Molecular Graphics (MG) is the study of molecules through visualizing their components and 3D representations. It is advantageous over physical models and is used in protein and nucleic acid studies, pharmaceutical design, and has specialized software for drug design.
The term graphics refers to drawings or images that are created following mathematical rules. Molecular refers to molecules and their components. Therefore, one meaning of Molecular Graphics (MG) is the study of molecules by visualizing the molecules themselves and their component parts. Molecular graphics also refer to three-dimensional representations of molecules made to examine them and understand their responses during reactions and interactions
Molecular graphics have some advantages over physical models. Physical models can cause problems because the structure is obscured, there is a false impression of flexibility, overlapping is nearly impossible, or they are simply too cumbersome to work with. All these problems can be overcome with computer graphics.
A key use of molecular graphics is in the study of proteins and nucleic acids. The Protein Database (PDB) of the Research Collaboratory for Structural Bioinformatics (RCSB), where experimentally determined information about the structures of nucleic acids, proteins and complex assemblies is archived for general access. As of April 27, 2010, there were 64,932 properties in the database. The RCSB popularizes its feature by inviting visitors to build 3D virus models at Rutgers University on Rutgers Day. The RCSB also sponsors protein modeling trials at Regional Science Olympiads across the United States. The Worldwide Protein Data Bank (wwPDB) is the international organization headed by groups such as RCSB; PDBe, the European counterpart; and PDBj, the Japanese counterpart; belong.
Another area where molecular graphics are extremely important is the design of pharmaceutical products. Molecular graphics-assisted drug design – also known as computer-aided drug design (CADD), computer-aided molecular design (CAMD), or structure-based drug design (SBDD) – is one of the key research interests of the faculty For example, Virginia Commonwealth University’s Pharmaceutical Chemistry major in Pharmaceutical Sciences graduate programs.
Specialized software for creating molecular graphics, called molecular design software, is available in a number of commercial packages. There are also special versions dedicated to drug design based on molecular graphics. In drug design, the docking feature, the ability to connect a displayed molecule to a receptor, is one of the key attributes that distinguishes drug design software from other molecular design software.
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