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"Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: ..."

Prasad Chaskar, Vincent Zoete, Ute F. Röhrig (2014)

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DOI: 10.1021/CI5004152

access: closed

type: Journal Article

metadata version: 2020-03-06

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Prasad Chaskar, Vincent Zoete, Ute F. Röhrig:
Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function. J. Chem. Inf. Model. 54(11): 3137-3152 (2014)

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