Abstract Protein folding has attracted considerable research effort in biochemistry recent decades. In this work, we explore the potential of quantum computing to solve a simplified version protein folding. More precisely, numerically investigate performance Quantum Approximate Optimization Algorithm (QAOA) sampling low-energy conformations short peptides. We start by benchmarking algorithm on ...

the interaction between the solute and the solsent molecules play a crucial role in understanding the various molecular processes involved in chemistry and biochemistry, so in this work the potential energy of active site of azurin have been calculated in solvent by the monte carlo simulation. in this paper we present quantitative results of monte carlo calculations of potential energies of ...

• The Writhe and Torsion are used to define a local topological free energy of proteins. High conformations independent sequence. secondary structure. may be related the rate limiting step in protein folding. Protein folding, process by which proteins attain 3-dimensional conformation necessary for their function, remains an important unsolved problem biology. A major gap our understanding is h...