WaterMap

A new paradigm in ligand optimization

Below are selected publications from 2012; please check here to cite the use of WaterMap

  •   Brodney, M. A.; Barreiro, G.; Ogilvie, K.; Hajos-Korcsok, E.; Murray, J.; Vajdos, F.; Ambroise, C.; Christoffersen, C.; Fisher, K.; Lanyon, L.; Liu, J.; Nolan, C. E.; Withka, J. M.; Borzilleri, K. A.; Efremov, I.; Oborski, C. E.; Varghese, A.; O'Neill, B, "Spirocyclic Sulfamides as BACE-1 Inhibitors for the Treatment of Alzheimer's Disease: Utilization of Structure Based Drug Design, WaterMap, and CNS Penetration Studies to Identify Centrally Efficacious Inhibitors," J Med Chem., 2012, 55, 9224-39
  •   ö  Newman, A.H.; Beuming, T.; Banala, A.K.; Donthamsetti, P.; Pongetti, K.; LaBounty, A.; Levy, B.; Cao, J.; Michino, M.; Luedtke, R.P.; Javitch, J.A.; Shi, L., "Molecular determinants of selectivity and efficacy at the dopamine D3 receptor," J. Med. Chem., 2012, 55 (15), 6689–6699
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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