Πλοήγηση ανά Συγγραφέα "Anastassopoulos, G."
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Structural properties and interaction energies affecting drug design. An approach combining molecular simulations, statistics, interaction energies and neural networks
(2015)In order to elucidate some basic principles for protein-ligand interactions, a subset of 87 structures of human proteins with their ligands was obtained from the PDB databank. After a short molecular dynamics simulation ...