Browsing by Author "Silla, Estanislao"
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Alzate Morales, Jans; Contreras Ramos, Renato; Soriano, Alejandro; Tuñon, Iñaki; Silla, Estanislao (Biophysical Society, 2007)We report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the protein-ligand interaction energy between CDK2 (cyclin-dependent kinase 2) and five inhibitors with the N2-substituted 6-cyclohexy ...