Mahmoud Arafat Abd el-hamid Ibrahim
Abstract
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Potential Energy Surface Calculations VI.2.2.CK2-Inhibitor Complexes VI.2.2.a.Inhibitor preparation VI.2.2.b. CK2-inhibitor complex preparation VI.2.2.c.Single-structure calculation VI.2.2.d.Molecular dynamics VI.2.2.e.Binding energy calculation VI.3.RESULTS AND DISCUSSION
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Potential Energy Surface Calculations VI.2.2.CK2-Inhibitor Complexes VI.2.2.a.Inhibitor preparation VI.2.2.b. CK2-inhibitor complex preparation VI.2.2.c.Single-structure calculation VI.2.2.d.Molecular dynamics VI.2.2.e.Binding energy calculation VI.3.RESULTS AND DISCUSSION
Key concepts: Halogen bond, Halogen, Non-covalent interactions, Covalent bond, Atom (system on chip), Chemistry, Computational chemistry, Chemical physics