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Enhancing the accuracy of virtual screening: molecular dynamics with quantum-refined force fields.
Alessandro Curioni
Tiziana Mordasini
Wanda Andreoni
Published in:
J. Comput. Aided Mol. Des. (2004)
Keyphrases
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molecular dynamics
virtual screening
chemical structures
data sets
machine learning
data mining
multimedia
high throughput
massively parallel
drug discovery
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