Related Experiment Video

Updated: May 7, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

Binding region of alanopine dehydrogenase predicted by unbiased molecular dynamics simulations of ligand diffusion

Holger Gohlke1, Ulrike Hergert, Tatu Meyer

  • 1Institute for Pharmaceutical and Medicinal Chemistry and ‡Institute of Biochemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University , 40204 Düsseldorf, Germany.

Journal of Chemical Information and Modeling
|September 27, 2013
PubMed

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