Crystal structure prediction of flexible pharmaceutical-like molecules: density functional tight-binding as an intermediate optimisation method and for free energy estimation.
Faraday Discuss
; 211(0): 275-296, 2018 10 26.
Article
en En
| MEDLINE
| ID: mdl-30035288
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MEDLINE
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Prognostic_studies
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Risk_factors_studies
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En
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2018
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Article