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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

On the use of molecular dynamics receptor conformations for virtual screening

Sara E Nichols1, Riccardo Baron, J Andrew McCammon

  • 1Department of Chemistry and Biochemistry, Center for Theoretical Biological Physics, University of California, San Diego, La Jolla, CA, USA. senichols@ucsd.edu

Methods in Molecular Biology (Clifton, N.J.)
|December 21, 2011
PubMed

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