An improved hybrid global optimization method for protein tertiary structure prediction

@article{McAllister2010AnIH,
  title={An improved hybrid global optimization method for protein tertiary structure prediction},
  author={Scott R. McAllister and Christodoulos A. Floudas},
  journal={Computational optimization and applications},
  year={2010},
  volume={45 2},
  pages={377-413}
}
First principles approaches to the protein structure prediction problem must search through an enormous conformational space to identify low-energy, near-native structures. In this paper, we describe the formulation of the tertiary structure prediction problem as a nonlinear constrained minimization problem, where the goal is to minimize the energy of a protein conformation subject to constraints on torsion angles and interatomic distances. The core of the proposed algorithm is a hybrid global… CONTINUE READING