Ilkay Sakalli

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Knowledge on pK(A) values is an eminent factor to understand the function of proteins in living systems. We present a novel approach demonstrating that the finite element (FE) method of solving the linearized Poisson-Boltzmann equation (lPBE) can successfully be used to compute pK(A) values in proteins with high accuracy as a possible replacement to finite(More)
A scalar field generalization of Xanthopoulos’s cylindrically symmetric solutions of the vacuum Einstein equations is obtained. The obtained solution preserves the properties of the Xanthopoulos solution, which are regular on the axis, asymptotically flat and free from the curvature singularities. The solution describes stable, infinite length of rotating(More)
We present a robust method for the calculation of electrostatic potentials of large molecular systems using tetrahedral finite elements (FE). Compared to the finite difference (FD) method using a regular simple cubic grid to solve the Poisson equation, the FE method can reach high accuracy and efficiency using an adaptive grid. Here, the grid points can be(More)
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