Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology.

@article{Pearlstein2017BuildingNB,
  title={Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology.},
  author={Robert Pearlstein and Daniel J McKay and Viktor Hornak and Callum J Dickson and Andrei A. Golosov and Tyler S. Harrison and Camilo Velez-Vega and Jos{\'e} S. Duca},
  journal={Current topics in medicinal chemistry},
  year={2017},
  volume={17 23},
  pages={
          2642-2662
        }
}
Cellular drug targets exist within networked function-generating systems whose constituent molecular species undergo dynamic interdependent non-equilibrium state transitions in response to specific perturbations (i.e.. inputs). Cellular phenotypic behaviors are manifested through the integrated behaviors of such networks. However, in vitro data are frequently measured and/or interpreted with empirical equilibrium or steady state models (e.g. Hill, Michaelis-Menten, Briggs-Haldane) relevant to… CONTINUE READING