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Meyer, P. A., Socias, S., Key, J., Ransey, E., Tjon, E. C., Buschiazzo, A., … Sliz, P. (2016). Data publication with the structural biology data grid supports live analysis. Nature Communications, 7, 10882. https://doi.org/10.1038/ncomms10882 (Original work published)

Fu, B., Sahakyan, A. B., Camilloni, C., Tartaglia, G. G., Paci, E., Caflisch, A., … Cavalli, A. (2014). ALMOST: An all atom molecular simulation toolkit for protein structure determination. Journal of Computational Chemistry, 35(14), 1101-1105. https://doi.org/10.1002/jcc.23588 (Original work published)

Seeber, M., Felline, A., Raimondi, F., Muff, S., Friedman, R., Rao, F., … Fanelli, F. (2011). Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Journal of Computational Chemistry, 32(6), 1183-1194. https://doi.org/10.1002/jcc.21688 (Original work published)

Friedman, R., & Caflisch, A. (2009). Discovery of plasmepsin inhibitors by fragment-based docking and consensus scoring. ChemMedChem, 4(8), 1317-1326. https://doi.org/10.1002/cmdc.200900078 (Original work published 2009)

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)

Zhou, T., & Caflisch, A. (2009). Data management system for distributed virtual screening. Journal of Chemical Information and Modeling, 49(1), 145-152. https://doi.org/10.1021/ci800295q (Original work published 2009)

Seeber, M., Cecchini, M., Rao, F., Settanni, G., & Caflisch, A. (2007). Wordom: A program for efficient analysis of molecular dynamics simulations. Bioinformatics, 23(19), 2625-2627. https://doi.org/10.1093/bioinformatics/btm378 (Original work published)

Kolb, P., & Caflisch, A. (2006). Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry, 49(25), 7384-7392. https://doi.org/10.1021/jm060838i (Original work published)

Ahmed, S., Majeux, N., & Caflisch, A. (2001). Hydrophobicity and functionality maps of farnesyltransferase. Journal of Molecular Graphics and Modelling, 19(3-4), 307-317. https://doi.org/doi:10.1016/S1093-3263(00)00075-9