The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method.

@article{Orts2009TheIT,
  title={The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method.},
  author={Julien Orts and Christian Griesinger and Teresa Carlomagno},
  journal={Journal of magnetic resonance},
  year={2009},
  volume={200 1},
  pages={64-73}
}
During the process of drug discovery, INPHARMA can be used to derive the structure of receptor/lead compound complexes binding to each other with a K(d) in the microM to mM range. To be successful, the methodology needs adjustment of various parameters that depend on the physical constants of the binding event and on the receptor size. Here we present a thorough theoretical analysis of the INPHARMA interligand NOE effect in dependence of experimental parameters and physical constants. This… CONTINUE READING
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