Author
Abstract
Introduction: The insulin-like growth factor naturally exists in the Central Nervous System (CNS) and plays a significant role in cellular multiplication and differentiation during growth and maturation of the brain. These factors are expressed with their bond proteins and their receptors in the damaged areas of the brain. This indicates the role of IGFs systems in the brain damage.
Objective: Molecular simulation is a direct computational method for studying the structural changes of a wide spectrum of physical and biological issues. Computationally, experimental force fields have various forms in simulation of folding insulin-like growth factor.
Materials and Methods: In this study, the transfer temperature for IGF1 was modulated. The system was balanced and was studied and analyzed through dynamic molecular method within 500 Pico seconds.
Results: Studying the changes occurred in the potential energy of the three force fields showed that Amber force field is better than MM+ and OPLS force field and also MD simulation, at least in this model, is more effective than MC and LD methods.
Conclusion: Low temperatures make the structure more stable while high temperatures are on the contrary.
Keywords
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