Juan Ruso Beiras, Michael González-Durruthy, Ramon Rial
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Protein ligand complexation: a computational and experimental approach
Abstract. Herein, we present an integrated computational and experimental study to tackle the interactions between proteins and ligands. As an example of a protein we have chosen fibrinogen, a blood serum protein related to coagulation processes. While as a ligand we have chosen a penicillin: cloxacillin. With respect to computational tools molecular docking simulation with elastic network based on collective low-frequency normal modes and perturbation response
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