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Updated: Jul 19, 2026

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

Published on: May 9, 2025

Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead

Eva Stjernschantz1, John Marelius, Carmen Medina

  • 1Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.

Journal of Chemical Information and Modeling
|September 26, 2006
PubMed

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