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Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology.
Jorge Gálvez
Published in:
J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
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three dimensional
van der waals
prediction accuracy
drug design
molecular dynamics
protein structure prediction
molecular structure
molecular structures
viewpoint
drug discovery
dna computing
data sets
vector field
interaction networks
virtual screening
deformable surface model