Thomas L. Beck

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The finely tuned structures of membrane channel proteins allow selective passage of ions through the available aqueous pores. To understand channel function, it is crucial to locate the pores and study their physical and chemical properties. Here, we propose a new pore-searching algorithm (TransPath), which uses the Configurational Bias Monte Carlo (CBMC)(More)
ClC chloride channels possess a homodimeric structure in which each monomer contains an independent chloride ion pathway. ClC channel gating is regulated by chloride ion concentration, pH and voltage. Based on structural and physiological evidence, it has been proposed that a glutamate residue on the extracellular end of the selectivity filter acts as a(More)
A new method for performing high order mesh reenement multigrid computations in real space is presented. The method allows for accurate linear scaling electrostatics calculations over composite domains with local nested ne patches. The Full Approximation Scheme (FAS) multigrid technique is utilized for a sequence of reenement patches of increasing(More)
The finely tuned structures of membrane channels allow selective passage of ions through the available aqueous pores. In order to understand channel function, it is crucial to locate the pore and study its physical and chemical properties. Recently obtained X-ray crystal structures of bacterial chloride channel homologues reveal a complicated topol-ogy with(More)
A method for performing high order mesh refinement multigrid computations is presented. The Full Approximation Scheme (FAS) multigrid technique is utilized for a sequence of nested patches of increasing resolution. Conservation forms are generated on coarse scales by additional defect correction terms which counter the local excess fluxes at the boundaries.(More)
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