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Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
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Halogen Bonding in Supramolecular Chemistry
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