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Practical Guidance for Consensus Scoring and Force Field Selection in Protein-Ligand Binding Free Energy Simulations.
Han Zhang
Seonghoon Kim
Wonpil Im
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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free energy
force field
active contours
belief propagation
upper bound
active contour model
approximate inference
competitive learning
deformable models
fixed point
object boundaries
protein structure
gradient vector flow
protein protein interactions
posterior distribution
image processing
image analysis