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protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.
Daisuke Katagiri
Hideyoshi Fuji
Saburo Neya
Tyuji Hoshino
Published in:
J. Comput. Chem. (2008)
Keyphrases
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protein structure prediction
force field
parameter estimation
protein sequences
computational biology
protein structure
active contour model
machine learning
active contours
maximum likelihood
graph theory
amino acids
drug discovery
image processing
information theory
coarse grained