COMPSunday, 28 August 2005

2:00 PM-4:40 PM Washington DC Convention Center -- 151A, Oral
Modeling Water in Protein-Ligand Interfaces
Importance of Specific Interactions
Organizers:Leslie A. Kuhn
Michael Feig
2:00 PMRole of water in fragment-based drug design
Sandor Vajda, Michael Silberstein, Spencer C. Thiel
2:30 PMWater clusters at the dimer interface of alanine racemases: Structure and function
James M. Briggs, Gabriela Mustata
3:00 PMA molecular dynamics study of water chain formation in cytochrome c oxidase
Robert I. Cukier
3:30 PMIntermission
3:40 PMAllowing for the intermittent participation of protein bound water in GOLD Dockings
John W Liebeschuetz
4:10 PMImportance of bridging water molecules to protein-ligand binding free-energy
Shaomeng Wang, Yipin Lu, Chao-Yie Yang, Renxiao Wang
Paper Withdrawn

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The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005