Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails
Petr Dobeš(Czech Academy of Sciences), Pavel Hobza(Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry), Michal Otyepka(VSB - Technical University of Ostrava), Jindřich Fanfrlík(Czech Academy of Sciences), Jan Řezáč(Czech Academy of Sciences)
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