Huang, D., & Caflisch, A. (2012). How does Darunavir prevent HIV-1 protease dimerization? Journal of Chemical Theory and Computation, 8(5), 1786-1794. https://doi.org/10.1021/ct300032r

Friedman, R., & Caflisch, A. (2010). On the orientation of the catalytic dyad in aspartic proteases. Proteins, 78(6), 1575-1582. https://doi.org/10.1002/prot.22674 (Original work published)

Levy, Y., & Caflisch, A. (2003). Flexibility of monomeric and dimeric HIV-1 protease. The Journal of Physical Chemistry B, 107(13), 3068-3079. https://doi.org/10.1021/jp0219956

Budin, N., Majeux, N., & Caflisch, A. (2001). Fragment-based flexible ligand docking by evolutionary optimization. Biological Chemistry, 382(9), 1365-1372. https://doi.org/10.1515/BC.2001.168 (Original work published 2001)

Majeux, N., Scarsi, M., Apostolakis, J., Ehrhardt, C., & Caflisch, A. (1999). Exhaustive docking of molecular fragments with electrostatic solvation. Proteins: Structure, Function, and Bioinformatics, 37(1), 88-105. (Original work published)

Levy, Y., Caflisch, A., Onuchic, J. N., & Wolynes, P. G. (2004). The folding and dimerization of HIV-1 protease: Evidence for a stable monomer from simulations. Journal of Molecular Biology, 340(1), 67-79. https://doi.org/10.1016/j.jmb.2004.04.028 (Original work published)

Huang, D., & Caflisch, A. (2004). Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry, 47(23), 5791-5797. https://doi.org/10.1021/jm049726m (Original work published)