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EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.
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Francois Berenger a39fb00e44 updated to compile with OCaml-4.08.1 and dolog >= 4.0.0
2019-11-27 11:53:53 +09:00
ext imported from svn rev 14372 2013-08-23 09:21:00 +09:00
src updated to compile with OCaml-4.08.1 and dolog >= 4.0.0 2019-11-27 11:53:53 +09:00
INSTALL imported from svn rev 14372 2013-08-23 09:21:00 +09:00
README.md filled 2013-08-23 09:18:33 +09:00

README.md

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).