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protein-ligand-interacions

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azevedolab / emp_free_energy_FF_AD4

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Empirical Free Energy Force Field for AutoDock 4 Overview AutoDock 4 estimates free energy of binding for a receptor-ligand complex using a semi-empirical free energy force field. This force field has been calibrated against a dataset composed of crystallographic structures for which ligand-binding affinity data is known (Morris et al., 2009). T…

machine-learning scoring-function-space protein-ligand-interacions
  • Updated Nov 3, 2018

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