• Research Paper on:
    Energy Minimization, Conformation Analysis, and Molecular Modeling

    Number of Pages: 6


    Summary of the research paper:

    In six pages this paper discusses computational chemistry in an examination of its two types -- molecular modeling and conformation analysis. A Newman diagram of projection is included and there are seven sources cited in the bibliography.

    Name of Research Paper File: CC6_KSmolecModel.rtf

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    Unformatted Sample Text from the Research Paper:
    The next generation of narrowly-targeted drugs seems to be about to appear over the horizon. Conformation analysis and molecular modeling play increasing roles in new drug research.  Conformation is important in that it can change according to its environment (Chehin, et al., 1999); energy levels affect action. Drug developers need to discover the most effective conformation,  but they also need to be able to retain that conformation despite conditions external to the molecule. Conformational Analysis and Energy Minimization  Biology and physics historically have been kept as being very separate, distinct fields. Drug design that also includes molecular shape distinctions allows very narrow drug targeting. The molecular  shape of disease organisms or problematic mutations of normal molecules affects the manner in which drug treatment will be effective. Targeting molecular shape as well as action allows the  use of drugs that affect only those abnormalities being pursued. The value of this is that these new drugs are more effective, of  course, but there are other benefits as well. Some drugs can be highly effective but carry a raft of undesirable side effects. Many of these side effects are  only irritations and relatively minor, but others can be life-threatening. The recent correlation of deaths among those taking Propulsid(r) provides example. The drug itself was highly effective in  treating the symptoms of acid reflux, but its possible side effect of death resulted in its being taken off the market. If drugs  can be targeted narrowly enough, then it is conceivable that we could arrive at a new generation of pharmaceuticals that act only on the condition being treated, without presenting any 

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