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Umbrella Sampling Simulations Measure Switch Peptide Binding and Hydrophobic Patch Opening Free Energies in Cardiac Troponin.
Austin M. Cool
Steffen Lindert
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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amino acids
protein sequences
high speed
distance measure
simulation model
random sampling
similarity measure
graph cuts
image analysis
markov random field
energy function
coarse grained
tagged mri