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229th ACS National Meeting, in San Diego, CA, March 13-17, 2005
COMPMonday, March 14, 2005

Oral
Michael Klein 65th Birthday Symposium
Simulation of Biological Ion Channels and Enzyme Reactions
Organizers:Douglas J. Tobias
Robert J. Doerksen
 55Molecular dynamics simulations of the open and closed conformations of KirBac3.1.: Structural changes during ion channel gating
Carmen Domene
 56Molecular modeling of ion channels: From ab initio calculations to structural bioinformatics
Paolo Carloni
 57Activation of Shaker B, a voltage-gated potassium channel
Mounir Tarek, Werner Treptow
 58Mechanism of proteolysis of anthrax lethal factor. An ab initio and hybrid QM/MM molecular dynamics study
Alessandra Magistrato
 59Structure and function of vanadium haloperoxidases
Simone Raugei

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