Article
JOURNAL OF MOLECULAR GRAPHICS & MODELLING  (2011)

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation Protein-ligand interactions in the light of the alanine scanning and free energy decomposition methods

Saíz Urra, Liane; Cabrera-Pérez, Miguel Ángel; Froeyen, Matheus