Molecular Modeling and Drug Design: Application to Some Peroxisome Proliferator Agents
Part of the
book series (SLM)
Every chemist has used CPK or Dreiding models to represent the structure of a molecule. Even if this representation gives an approximated idea on how the molecule is arranged in space, we have no idea on how this representation is stable in terms of intra-molecular interactions. In fact, many properties cannot be represented by such tools, most especially electronic parameters: charges, hydrophobicity, electronic conjugation, etc....
KeywordsMolecular Modeling Drug Design Carboxylate Moiety Optimal Interaction Practical Session
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