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- I Sakalli, J Schöberl, E W Knapp
- Journal of chemical theory and computation
- 2014

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)

- Ilkay Sakalli, Ernst-Walter Knapp
- Journal of Computational Chemistry
- 2015

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. Al-Badawi, I. Sakalli
- 2008

The Dirac equation is solved in the rotating Bertotti-Robinson spacetime. The set of equations representing the Dirac equation in the Newman-Penrose formalism is decoupled into an axial and angular part. The axial equation, which is independent of mass, is solved exactly in terms of hypergeometric functions. The angular equation is considered both for… (More)

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