- 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.
- Ajay N. Jain, Alexander C. Brueckner, Christine Jorge, Ann E. Cleves, Purnima Khandelwal, Janet Caceres Cortes, Luciano Mueller. Correction: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design. Journal of Computer-Aided Molecular Design, 38(1):12, December 2024.
- Azam Nesabi, Jas Kalayan, Sara Al Rawashdeh, Mohammad A. Ghattas, Richard A. Bryce. Molecular dynamics simulations as a guide for modulating small molecule aggregation. Journal of Computer-Aided Molecular Design, 38(1):11, 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.
- Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt 0002, Christian Lemmen, Matthias Rarey. SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. Journal of Computer-Aided Molecular Design, 38(1):13, December 2024.
- Jeremy Jones, Robert D. Clark, Michael S. Lawless, David W. Miller, Marvin Waldman. The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations. Journal of Computer-Aided Molecular Design, 38(1):14, December 2024.