Unbiased, scalable sampling of protein loop conformations from probabilistic priors

Keyphrases

• Protein Loops 100%
• Loop Conformation 100%
• Structural Preference 100%
• Probabilistic Priors 100%
• Subloop 75%
• Inverse Kinematics 75%
• Monte Carlo 50%
• Search Methods 50%
• Long Loops 50%
• Probabilistic Graphical Models 50%
• Discrete Search 50%
• Order of Magnitude 25%
• Molecular Dynamics 25%
• Probability Density Function 25%
• Numerical Experiments 25%
• Protein Conformation 25%
• Unified Framework 25%
• Computational Challenges 25%
• Anion Binding 25%
• Loop Optimization 25%
• Closed-loop 25%
• For Loop 25%
• Simulation Experiment 25%
• Markov Chain Monte Carlo Algorithm 25%
• Dynamic Method 25%
• Local Minima 25%
• Location Constraint 25%
• Spatial Variables 25%
• Flexible Structure 25%
• Loop Dynamics 25%
• Loop Motion 25%
• Monte Carlo Search 25%
• Position Prior 25%
• Local Inverse 25%
• Loop Closure Constraint 25%
• Loop Ensembles 25%
• Ensemble Generation 25%
• Structure Completion 25%

Computer Science

• Inverse Kinematics 100%
• Search Technique 66%
• Graphical Model 66%
• Unified Framework 33%
• markov chain monte-carlo 33%
• Local Minimum 33%
• Simulation Experiment 33%
• for Loop 33%
• Probability Density 33%
• Position Constraint 33%

Biochemistry, Genetics and Molecular Biology

• Conformation 100%
• Dynamics 16%
• Motion 16%
• Protein Conformation 16%