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Journal of Computer-Aided Molecular Design|June 15, 2026
Integrative transcriptomic and systems biology analysis of public SLE datasets identifies immune regulatory pathwaysKashif Saleem, Rehan Zafar Paracha, Linta Khalid, et al.Journal of Computer-Aided Molecular Design|June 15, 2026
In silico structural and disorder prediction of the tomato yellow leaf curl virus C2 protein and experimental assessment of subcellular localization and HR-like responseSam A Chandran, Kishore Nagasubramanian, Hagit Hak, et al.Journal of Computer-Aided Molecular Design|June 1, 1989
Pattern recognition study of QSAR substituent descriptorsH van de Waterbeemd, N el Tayar, P A Carrupt, et al.Journal of Computer-Aided Molecular Design|June 1, 1989
Highly conformationally constrained halogenated 6-spiroepoxypenicillins as probes for the bioactive side-chain conformation of benzylpenicillinR E Shute, D E Jackson, B W BycroftJournal of Computer-Aided Molecular Design|January 6, 2017
The influence of hydrogen bonding on partition coefficientsNádia Melo Borges, Peter W Kenny, Carlos A Montanari, et al.Journal of Computer-Aided Molecular Design|December 1, 2016
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impactGeorgia McGaughey, W Patrick WaltersJournal of Computer-Aided Molecular Design|December 29, 2016
Fast H-DROP: A thirty times accelerated version of H-DROP for interactive SVM-based prediction of helical domain linkersTambi Richa, Soichiro Ide, Ryosuke Suzuki, et al.Journal of Computer-Aided Molecular Design|April 5, 2014
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energiesPaulius Mikulskis, Daniela Cioloboc, Milica Andrejić, et al.Journal of Computer-Aided Molecular Design|February 15, 2008
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubilityOlga Obrezanova, Joelle M R Gola, Edmund J Champness, et al.Journal of Computer-Aided Molecular Design|February 15, 2008
Customizing scoring functions for dockingTuan A Pham, Ajay N JainPageof 264