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Atomistic molecular dynamics simulation is a promising technique to investigate the energetics and dynamics in the protein-surface adsorption process which is of high relevance to modern biotechnological applications. To increase the chance of success in simulating the adsorption process, favorable orientations of the protein at the surface must be determined.
(Ngai et al., 2016) ProtPOS: a python package for the prediction of protein preferred orientation on a surface. Bioinformatics.