The critical role of QM/MM X-ray refinement and accurate...

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Journal of Computer-Aided Molecular Design 2020 / 10

The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design

Borbulevych, Oleg Y., Martin, Roger I., Westerhoff, Lance M.
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Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-020-00354-6
Date:
October, 2020
File:
PDF, 2.84 MB
2020
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