We have investigated electrostatic and surface features of an essential region of the catalytic core of the spliceosome, the eukaryotic precursor messenger (pre-m)RNA splicing apparatus. The nucleophile for the first of two splicing reactions is the 2'-hydroxyl (OH) of the ribose of a specific adenosine within the intron. During assembly of the spliceosome's catalytic core, this adenosine is po...

Boundary element methods are a well-established technique for solving linear boundary value problems electrostatic potentials. In this context we present novel way to approximate the forces exerted by fields on conducting objects. Like standard post-processing employing surface integrals derived from Maxwell stress tensor new approach solely relies integrals, but, compared former, offers better...

Electrostatic precipitators (ESP) and fabric filters (FF) are the main air pollution control equipment utilized to clean dust laden fumes from utility boilers. The choice among these systems depends on specific site conditions such as dust characteristics, required efficiency, gas flowrate and temperature. ESP are generally characterized by higher capital investments and lower operating charges...

The transferability of atomic and functional group properties is an implicit concept in chemistry. The work presented here describes the use of Transferable Atom Equivalents (TAE) to represent molecular electrostatic potential fields through the use of integrated atomic multipole moments that are associated with each TAE atom type used in the reconstruction. TAE molecular surface distributions ...

The Poisson-Boltzmann theory has become widely accepted in modeling electrostatic solvation interactions in biomolecular calculations. However the standard practice of atomic point charges in molecular mechanics force fields introduces singularity into the Poisson-Boltzmann equation. The finite-difference/finite-volume discretization approach to the Poisson-Boltzmann equation alleviates the num...