COMPTuesday, August 18, 2009

1:30 PM-4:40 PM Walter E. Washington Convention Center -- 144A, Oral
Molecular Mechanics
Lipids: The New Water
Organizer:Emilio Xavier Esposito
Presiding:Kiumars Shahrokh
1:30 PMAtomistic simulations of lipid bilayer interactions with a carbon nanotube
Vamshi K. Gangupomu, Franco M. Capaldi
2:00 PMCoarse grain molecular dynamics simulations of membrane proteins
Jhenny Galan, Zhiwei Liu, Russell DeVane, Preston B. Moore
2:30 PMCoarse grain paramaterization of drugs, proteins, and lipids for use in molecular dynamics simulations
Russell DeVane, Jhenny Galan, Zhiwei Liu, Preston B. Moore
3:00 PMIntermission
3:10 PMMembrane attachment, allostery, and population-shift in Ras GTPases
Alemayehu A. Gorfe
3:40 PMReactivity of DFP in water saturated polymer membrane
Jan W. Andzelm, John Walker, Heidi Schreuder-Gibson, Phillip Gibson
4:10 PMUnderstanding how flavonoids provide protection to skin cells: A molecular modeling study
Sarangan Ravichandran

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The 238th ACS National Meeting, Washington, DC, August 16-20, 2009