Computer-assisted molecular design CAMD

Computer-assisted drug design (CADD), also called computer-assisted molecular design (CAMD), represents more recent applications of computers as tools in the drug design process, though it does not replace the human element in analyzing the data. 

CADD Computer-assisted drug design, also called computer-assisted molecular design (CAMD). 

Over 80% of the listings in Table 2 use a quantum mechanical approach to molecular modeling. None of the top ranking articles in Table 2 (or 1) deals directly with quantitative structure-activity relationships (QSAR), computer graphics, or computer-assisted molecular design (CAMD). ... 

H. Friibeis, R. Klein, and H. Wallmeier, Angew. Chem. Int. Ed. Engl., 26, 403 (1987). Computer-Assisted Molecular Design (CAMD)—An Overview. 

Computer-assisted molecular design (CAMD) Methods based on molecular graphics, molecular mechanics, molecular dynamics, and MO calculations, used for the design of new compounds. CAM D is not equivalent but rather a subdiscipline of molecular modeling (see Molecular modeling. Molecular mechanics, and Molecular dynamics). 

This chapter has presented many examples of the effective use of computational chemistry in peptide mimetic design. Clearly, computational chemistry can play a very useful role as part of the overall design process. A number of the peptidomimetics discussed here have been selected for further study as potential drug candidates or even reached the market.It therefore seems reasonable to claim that several of the case studies represent success stories in the application of computer-assisted molecular design (CAMD). This section briefly summarizes how computational chemistry techniques of different types... 

In computer-assisted molecular design (CAMD), computational chemistry is directed toward the discovery of new compounds with specific, desired properties. There have been whole books published on CAMD (see, e.g., refs. 1-4). Nevertheless, many research chemists remain unaware of what has been accomplished to date with CAMD. At scientific meetings, one hears too frequently the misstatement that no commercial compound has yet been designed with the aid of computers. Our goal here is to review briefly some documented successes of CAMD. By highlighting these examples, we hope to stimulate a wider appreciation of the technologies of computational chemistry. 

However, as there is no free DNA in the cell, and the real target for DNA-inter-active agents is the chromatin, it is not clear whether in vitro studies can contribute to understanding of cellular DNA sequence selectivity. Various synthetic approaches and mechanistic studies assisted by computer aided molecular design (CAMD) have been described aiming at an optimization of the pharmacological properties of the enediyne antibiotics [80]. It remains to be seen whether enediynes, either natural or designed, will become a useful supplement to the arsenal for the treatment of cancer. 

This article examines what is commonly called computer-aided drug design (CADD). This is the largest and most well established area of computer-aided (or -assisted) molecular design (CAMD). " Many of the concepts and methodologies that apply to design of pharmaceutically interesting compounds also apply to other compounds and materials of scientific or commercial interest. 

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