Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?

J Cheminform · 2017 · PMC5432473 · PMID 29086109

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showed a trendno p-value reported

The analysis of ligands in NMR models helped to quantify normal conformational fluctuations and showed a trend of increasing inter-model RMSDs with increasing conformation degrees of freedom.

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