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UnixJunkie / elekit

EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.

Home Page:http://www2.riken.jp/zhangiru/software.html

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electrostatic-potentialsimilarity-scoresbvsproteinligand

elekit

EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.

EleKit allows to measure the similarity of electrostatic potentials between a (docked) small molecule and a known ligand protein for the same protein receptor. EleKit is intended to facilitate the design of SMPPIIs (Small Molecule Protein-Protein Interaction Inhibitors).

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EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.

http://www2.riken.jp/zhangiru/software.html

electrostatic-potentialsimilarity-scoresbvsproteinligand

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