- Patrick Penner, Anna Vulpetti. 19F NMR chemical shift prediction. Journal of Computer-Aided Molecular Design, 38(1):4, December 2024.
- Alan Kerstjens, Hans De Winter. Molecule auto-correction to facilitate molecular design. Journal of Computer-Aided Molecular Design, 38(1):10, December 2024.
- Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, Parimal Kar. Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey. Journal of Computer-Aided Molecular Design, 38(1):8, December 2024.
- Liliana Halip, Sorin I. Avram, Ramona Curpan, Ana Borota, Alina Bora, Cristian Bologa, Tudor I. Oprea. Correction: Exploring DrugCentral: from molecular structures to clinical effects. Journal of Computer-Aided Molecular Design, 38(1):2, December 2024.
- Adan Gallardo, Bercem Dutagaci. Binding of small molecule inhibitors to RNA polymerase-Spt5 complex impacts RNA and DNA stability. Journal of Computer-Aided Molecular Design, 38(1):1, December 2024.
- José Ramón Mora, Edgar Márquez, Noel Pérez Pérez, Ernesto Contreras-Torres, Yunierkis Pérez-castillo, Guillermín Agüero-Chapín, Felix Martinez-Rios, Yovani Marrero-Ponce, Stephen J. Barigye. Rethinking the applicability domain analysis in QSAR models. Journal of Computer-Aided Molecular Design, 38(1):9, December 2024.
- Aleksei Kabedev, Christel A. S. Bergström, Per Larsson. Molecular dynamics study on micelle-small molecule interactions: developing a strategy for an extensive comparison. Journal of Computer-Aided Molecular Design, 38(1):5, December 2024.
- Florian Führer, Andrea Gruber, Holger Diedam, Andreas H. Göller, Stephan Menz, Sebastian Schneckener. A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat. Journal of Computer-Aided Molecular Design, 38(1):7, December 2024.
- Andrew T. McNutt, David Ryan Koes. Open-ComBind: harnessing unlabeled data for improved binding pose prediction. Journal of Computer-Aided Molecular Design, 38(1):3, December 2024.
- Maria Lazou, Jonathan R. Hutton, Arijit Chakravarty, Diane Joseph-McCarthy. Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interface. Journal of Computer-Aided Molecular Design, 38(1):6, December 2024.