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Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials.
Chan Kyung Kim
Soo Gyeong Cho
Chang Kon Kim
Hyung-Yeon Park
Hui Zhang
Hai Whang Lee
Published in:
J. Comput. Chem. (2008)
Keyphrases
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three dimensional
molecular structures
prediction accuracy
molecular structure
higher order
molecular interactions
prediction model
drug design
ligand docking
prediction error
surface reconstruction
d objects
chemical reactions
virtual screening
van der waals
vector field
range images
neural network