Modeling protein-ligand complexes.

P Bamborough; F E Cohen

doi:10.1016/s0959-440x(96)80081-9

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Modeling protein-ligand complexes.

P Bamborough·F E Cohen

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Abstract

Increasing the rate at which new biologically active compounds are found is a major goal in pharmaceutical chemistry. Recently, several computational methods have been proposed with this intent. For some time, algorithms have been used to direct ligand evolution on the basis of complementarity to the three-dimensional structure of a selected protein. Current research focuses on enhancements to methods for searching chemical databases, proposing sensible modifications to known active compounds, and construction of novel ligands from theoretical principles.

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Computer Simulation Drug Design Ligands Macromolecular Substances Models, Molecular Proteins Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S.Review

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P Bamborough, F E Cohen. 1996. Modeling protein-ligand complexes.. https://doi.org/10.1016/s0959-440x(96)80081-9

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