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Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach.
Marco A. C. Neves
Sérgio Simões
M. Luisa Sá e Melo
Published in:
J. Comput. Aided Mol. Des. (2010)
Keyphrases
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virtual screening
probabilistic model
drug discovery
complex systems
databases
bayesian networks
end users
graphical models
chemical structures