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Conformational changes and free energies in a Proline isomerase
Elena Papaleo
, Ludovico Sutto, Francesco Luigi Gervasio,
Kresten Lindorff-Larsen
Biomolecular Sciences
29
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Keyphrases
Enhanced Sampling
100%
Cyclophilin A
100%
Conformational Change
100%
Alternative Conformations
100%
Free Energy
100%
Comparison Experiment
50%
Enzyme Function
50%
Explicit Solvent
50%
Level Description
50%
Structural Properties
50%
All-atom
50%
Structural Information
50%
Biological Function
50%
Molecular Simulation
50%
X-ray Crystallography
50%
Atomic Level
50%
Force Field
50%
Quantitative Characterization
50%
Two-state
50%
Biophysical Properties
50%
Biochemistry, Genetics and Molecular Biology
Cyclophilin
100%
Conformation
100%
Proline
100%
Conformational Change
100%
Isomerase
100%
Dynamics
50%
Enzyme
50%
X-Ray Crystallography
50%
Biological Functions
50%
Sampling
50%
Wild Type
50%