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Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques.
Frank H. Allen
Stephanie E. Harris
Robin Taylor
Published in:
J. Comput. Aided Mol. Des. (1996)
Keyphrases
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higher order
data sets
high level
probability distribution
protein folding
real time
neural network
artificial intelligence
three dimensional
graph cuts
random variables
transition probabilities