Computer-aided molecular graphic

BTC Bottling Technology Council CAMG computer-aided molecular graphics... 

The crystal structure of zeolites is a complex arrangement of aluminosilicate tetrahedra, characterized by the presence of peculiar channels and cavities. Computer aided molecular graphics can represent an... 

An important approach to the graphic representation of molecules is the use of a connection table. A connection table is a data base that stores the available bond types and hybridizations for individual atoms. Using the chemical formula and the connection table, molecular stmctures may be generated through interactive graphics in a menu-driven environment (31—33) or by using a linear input of code words (34,35). The connection table approach may be carried to the next step, computer-aided molecular design (CAMD) (36). 

As always, we try to be heedful of the needs of our readers and authors. Every effort is made to produce volumes that will have sustained usefulness in learning, teaching, and research. We appreciate the fact that the community of computational chemists has found that these volumes fulfill a need. In the most recent data on impact factors from the Institute of Scientific Information (Philadelphia, Pennsylvania), Reviews in Computational Chemistry is ranked fourth among serials (journals and books) in the field of computational chemistry. (In first place is the Journal of Molecular Graphics and Modelling, followed by the Journal of Computational Chemistry and Theoretical Chemistry Accounts. In fifth and sixth places are the Journal of Computer-Aided Molecular Design and the Journal of Chemical Information and Computer Science, respectively.)... 

Journal of Computational Chemistry (3.592) Journal of the American Chemical Society (5.298) Journal of Physical Chemistry (3.452) Biochemistry (5.196) Journal of Medicinal Chemistry (3.803) Journal of Molecular Biology (5.253) Proteins (6.775) Biopolymers (2.221) Protein Science (a) Journal of Molecular Graphics (1.433) Macromolecules (2.851) Journal of Computer-Aided Molecular Design (3.338) Proc. National Academy of Sciences USA (10.480) Journal of Chemical Physics (3.433) Protein Engineering (3.392) Journal of Chem. Inf. Computer Sciences (1.982) Journal of Biomolecular Struct. Dynamics (1.788) Biophysics Journal (4.945) THEOCHEM (0.951)... 

Mahmoudian, M. The cannabinoid receptor Computer-aided molecular modelling and docking of ligand. J. Mol. Graphics Mod., 1997, 15, 149-153. 

At least one peer-reviewed journal. Journal of Chemical Information and Computer Science (ISSN 0095-2338 published bimonthly by the American Chemical Society), is devoted exclusively to chemical information and related topics in computer science. This, along with Journal of Computer-Aided Molecular Design (ISSN 0920-654X) and Journal of Molecular Graphics (ISSN 0263-7855), cover a significant portion of the research literature. 

Zauhar, R. J. (1995) SMART a solvent-accessible triangulated surface generator for molecular graphics and boundary element applications. J. Comput.-Aided Mol. Des. 9, 149-159. 

High quality computer graphics is now widely available and is used as an aid in visualizing molecules, molecular processes, and intermolecular interactions. In some cases molecular graphics has replaced the building of physical (e. g., Dreid-ing) models but the potential applications are much greater. In order to visualize molecules they need to be constructed in a reliable manner and molecular mechanics is an ideal tool for doing so. 

The 3D space requirements of most molecules can be represented to a good approximation by such Van der Waals surfaces. Fused sphere VDWS s are used extensively in molecular modeling, especially in the interpretation of biochemical processes and computer aided drug design. These approximate molecular surfaces are conceptually simple, their computation and graphical display on a computer screen take relatively short time, even for large biomolecules. 

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