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- 2018
Investigating the Conformation of S100β Protein Under Physiological Parameters Using Computational Modeling: A Clue for Rational Drug DesignDOI: 10.2174/1874120701812010036 Keywords: S100β Protein, Molecular Dynamics, Cofactors, Energy Minimization, Physiological Parameters, Alzheimer's Abstract: Physiochemical factors such as temperature, pH and cofactors are well known parameters that confer conformational changes in a protein structure. With S100β protein being a metal binding brain-specific receptor for both extracellular and intracellular functions, a change in conformation due to the above-mentioned factors, can compromise their cellular functions and therefore result in several pathological conditions such as Alzheimer’s disease, Ischemic stroke, as well as Myocardial Infarction
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