ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules

Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken. ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules. Journal of Computer-Aided Molecular Design, 35(4):399-415, 2021. [doi]

Authors

Anikó Udvarhelyi

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Stephane Rodde

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Rainer Wilcken

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