Targeting multifunctional proteins by virtual screening: structurally diverse cytohesin inhibitors with differentiated biological functions.

@article{Stumpfe2010TargetingMP,
  title={Targeting multifunctional proteins by virtual screening: structurally diverse cytohesin inhibitors with differentiated biological functions.},
  author={Dagmar Stumpfe and Anke Bill and Nina Petra Novak and Gerrit Loch and Heike Blockus and Hanna Geppert and Thomas Becker and Anton Schmitz and Michael Hoch and Waldemar Kolanus and Michael Famulok and J{\"u}rgen Bajorath},
  journal={ACS chemical biology},
  year={2010},
  volume={5 9},
  pages={839-49}
}
Virtual screening (VS) of chemical libraries formatted in silico provides an alternative to experimental high-throughput screening (HTS) for the identification of small molecule modulators of protein function. We have tailored a VS approach combining fingerprint similarity searching and support vector machine modeling toward the identification of small… CONTINUE READING