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Pevzner, Y., Frugier, E., Schalk, V., Caflisch, A., & Woodcock, H. L. (2014). Fragment-based docking: Development of the CHARMMing Web user interface as a platform for computer-aided drug design. Journal of Chemical Information and Modeling, 54(9), 2612-2620. https://doi.org/10.1021/ci500322k (Original work published)

Brooks, B. R., Brooks III, C. L., Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B., … Karplus, M. (2009). CHARMM: The biomolecular simulation program. Journal of Computational Chemistry, 30(10), 1545-1614. https://doi.org/10.1002/jcc.21287 (Original work published)