Molecular Volumes Sample Clauses

Molecular Volumes. The ligand volumes were calculated by extracting the structures from their respective protein X-ray or EC (electron crystallographic; e.g. PTX T-Taxol conformation) complexes as pdb files followed by importing into the Spartan software. A single point energy calculation provides the volume of the corresponding CPK model. The volumes of the MD-2 cavities were obtained by the web-based CASTp package.
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Related to Molecular Volumes

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