The Protein Folding Problem and Tertiary Structure Prediction

TLDR: This work Modeling Side Chains in Peptides and Proteins with the Locally Enhanced Sampling/Simulated Annealing Method and the Role of Interior Side-Chain Packing in Protein Folding and Stability are presented.

Abstract: 1 Modeling Side Chains in Peptides and Proteins with the Locally Enhanced Sampling/Simulated Annealing Method.- 2 Conformation Searching Using Simulated Annealing.- 3 Multiple-Start Monte Carlo Docking of Flexible Ligands.- 4 The Genetic Algorithm and Protein Tertiary Structure Prediction.- 5 Conformational Search and Protein Folding.- 6 Building Protein Folds Using Distance Geometry: Towards a General Modeling and Prediction Method.- 7 Molecular Dynamics Studies of Protein and Peptide Folding and Unfolding.- 8 Contact Potential for Global Identification of Correct Protein Folding.- 9 Neural Networks for Molecular Sequence Classification.- 10 The "Dead-End Elimination" Theorem: A New Approach to the Side-Chain Packing Problem.- 11 Short Structural Motifs: Definition, Identification, and Applications.- 12 In Search of Protein Folds.- 13 An Adaptive Branch-and-Bound Minimization Method Based on Dynamic Programming.- 14 Computational Complexity, Protein Structure Prediction, and the Levinthal Paradox.- 15 Toward Quantitative Protein Structure Prediction.- 16 The Role of Interior Side-Chain Packing in Protein Folding and Stability.- Keyword Index.