Source code of the Monte Carlo ensemble docking (MC-ED) algorithm, a protein-protein docking algorithm developed for studying the aggregation of b2-microglobulin and other amyloidogenic proteins, and codes for data analysis of MC-ED docking results (J. S. Loureiro, R. et al., Biomolecules 2019).
I am the co-author of the MC-ED source code with Heinrich Krobath. Heinrich authored the code sections relative to part of the initial conformational sampling (i.e. direction/docking axis sampling) and to the Monte Carlo conformational sampling and associated functions while I authored part of the inital conformational sampling (i.e. orientation sampling and clashes minimization) and the scoring function used in the metropolis criterion and associated functions.
I am the sole author of all the codes for the analysis of the MC-ED docking results.