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2008•Russian Chemical BulletinRequires access

A method and program for mass quantum chemical calculations of protein—ligand docking complexes

N. A. Anikin, A. S. Mendkovich, M. B. Kuzminskiy, А. М. Андреев

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Key concepts: Chemistry, Quantum chemical, Computation, Computational chemistry, Docking (animal), Root mean square, Quantum chemistry, Molecule

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