遇见数据集

APBS commands used for a protein.

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Figshare2015-12-02 更新2026-04-29 收录
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For a small molecule, the input and output file names would differ. Parameters were determined with pdb2pqr.py. Grid-related parameters vary upon each case (dime, cglen, fglen, cgcent and fgcent).

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2015-12-02
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