Comparative Study of Stability and Activity of Wild-Type and Mutant Human Carbonic Anhydrase II Enzymes Using Molecular Dynamics and Docking Simulations
Maryam Mapar,
Majid Taghdir,
Bijan Ranjbar
Abstract:The human carbonic anhydrase II (HCA II) enzyme is a cytosolic protein located in the membrane of red blood cells. A zinc ion (Zn2+) in this enzyme makes it an excellent example of a metalloenzyme that reversible hydration of carbon dioxide (CO2). Considering the critical role of the HCA II, computational methods such as molecular docking, molecular dynamics (MD) simulation, and molecular mechanic/Poisen-Boltzman surface area (MMPBSA) analysis are used to study the structure and dynamics of the wild-type enzym… Show more
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