Predicting peptide structures using NMR data and deterministic global optimization. - John L. Klepeis; Christodoulos A. Floudas; Dimitrios Morikis; John D. Lambris (J. Comput. Chem., 1999)

Structure-Based Integrative Computational and Experimental Approach for the Optimization of Drug Design. - Dimitrios Morikis; Christodoulos A. Floudas; John D. Lambris (International Conference on Computational Science (2), 2005)

The Two Sides of Complement C3d: Evolution of Electrostatics in a Link between Innate and Adaptive Immunity. - Chris A. Kieslich; Dimitrios Morikis (PLoS Comput. Biol., 2012)

Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7. - Zied Gaieb; David D. Lo; Dimitrios Morikis (J. Chem. Inf. Model., 2016)