Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations

Keyphrases

• Explicit Solvent 100%
• Folding Simulation 100%
• Miniprotein 100%
• Trp-cage 100%
• Replica Exchange Molecular Dynamics 100%
• Structure Formation 40%
• Collapsed State 40%
• Molecular Dynamics Method 40%
• Caged Protein 40%
• Helical Domain 40%
• Water Molecule 20%
• Temperature Range 20%
• Simulation Time 20%
• Intermediate State 20%
• Molecular Dynamics Simulation 20%
• Active Role 20%
• Structure Dynamics 20%
• System Size 20%
• Experimental Structure 20%
• Near-native 20%
• Root Mean Square Deviation 20%
• Protein Folding 20%
• Unfolded State 20%
• Native Structure 20%
• Hamiltonian Replica Exchange 20%
• Temperature Replica Exchange 20%
• Peptide Folding 20%
• Backbone Dihedral 20%
• Helical Propensity 20%
• Unfolded Structure 20%
• Near-native Conformations 20%
• Protein Refinement 20%
• Peptide Backbone 20%

Biochemistry, Genetics and Molecular Biology

• Dynamics 100%
• Computer Simulation 100%
• Conformation 50%
• Protein Folding 25%