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Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges.
Steffen Wolf
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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predicting protein
protein protein
protein protein interactions
secondary structure
data sets
knowledge discovery
data management