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10.1107/S2052252516013439

http://scihub22266oqcxt.onion/10.1107/S2052252516013439
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suck abstract from ncbi


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pmid28461889
      IUCrJ 2016 ; 3 (Pt 5 ): 296-297
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  • Neutron crystallography aids in drug design #MMPMID28461889
  • Blakeley MP
  • IUCrJ 2016[Sep]; 3 (Pt 5 ): 296-297 PMID28461889 show ga
  • Since drugs bind to their targets through directional H bonding and non-directional hydrophobic and electrostatic interactions, neutron crystallography can help guide structure-based drug design. This is illustrated by McKenna and co-workers [Aggarwal et al. (2016), IUCrJ, 3, 319-325] who describe the room-temperature neutron structure of human carbonic anyhydrase II in complex with the clinical inhibitor methazolamide to 2.2?Å resolution, and compare this with the previously determined room-temperature neutron structure of human carbonic anyhydrase II in complex with the clinical inhibitor acetazolamide to 2.0?Å resolution [Fisher et al. (2012). J. Am. Chem. Soc.134, 14726-14729].
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