Abstract
A survey is presented of model building techniques and computer-assisted quantum-chemical and molecular-dynamics simulations, as applied to the study of protease and receptor design, to the determination of the properties of related effectors, agonist and antagonist molecules, and to the design of fatty-acid transport proteins and molecular carriers. Studies covering integral membrane protein design have been reviewed: they include porins, ion channels and G protein coupled receptors. In the transport molecule class, hydrophobic ligand transporters, such as serum and cellular retinoid binding proteins, have been reviewed.
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Stamato, F.M.L.G., Paulino, M., Garratt, R. et al. Computer assisted simulations and molecular graphics methods in molecular design 2. Proteinases and receptor and transport proteins. Mol Eng 4, 375–414 (1995). https://doi.org/10.1007/BF01019470
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DOI: https://doi.org/10.1007/BF01019470