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Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules.
Liang Xu
Ke Gao
Chunyu Bao
Xicheng Wang
Published in:
J. Comput. Aided Mol. Des. (2012)
Keyphrases
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hiv protease
coarse grained
binding peptides
fine grained
protein protein interactions
upper bound
data sets
neural network
worst case
monte carlo
lower bound
error bounds
selection algorithm
sampling strategy
sequence analysis