Protein structure prediction pipeline

Our pipeline: 1. Neuronal network (NN) predicts protein atomic distances from sequence. 2. Molecular mechanics (MM) to create the coarse grained 3D fold restrained by predicted distances and experimental data. 3 Convert to, and optimise structure in atomic resolution, also using molecular dynamics (MD),
GPU needed for both the NN and for MM/MD.
http://www.brc.hu/en//research/institute-of-biophysics/molecular-subcellular-and-microbial-biophysics-research-unit/membrane-biophysics-research-group