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Proteins are large, complex molecules that play many critical roles in the body and are required for the structure, function, and regulation of the body’s tissues and organs. In very simple terms, a protein can be defined as a linear chain of subunits called amino acid residues. The individual amino acid residues are sequentially bonded together by peptide bonds. There are 20 standard amino acids This work is primarily about the development, validation and application of computer simulation models for intrinsically disordered proteins, both in solution and in the presence of uniformly charged, ideal surfaces. The models in question are either coarse-grained or atomistic in nature, and their applications are dependent on the specific purpose of each study. Both, Metropolis Monte Carlo and m