Desmond

High-performance molecular dynamics simulations for biomolecular systems

Below are selected publications from 2009; please check here to cite the use of Desmond

  •   ö  Lyman, E.; Higgs, C.; Kim, B.; Lupyan, D.; Shelley, J. C.; Farid, R.; Voth, G. A., "A Role for a Specific Cholesterol Interaction in Stabilizing the Apo Configuration of the Human A2A Adenosine Receptor," Structure, 2009, 17, 1660-1668
  •   Shan, Y.; Seeliger, M. A.; Eastwood, M.P.; Frank, F.; Xu, H.; Jensen, M.; Dror, R.O.; Kuriyan, J.; and Shaw, D. E., "A Conserved Protonation-Dependent Switch Controls Drug Binding in the Abl Kinase," Proc. Natl. Acad. Sci. USA, 2009, 106, 139-144
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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