Electrostatic potential as well as the local volume charge density are computed for a macromolecule by solving the Poisson-Boltzmann equation (PBE) using the finite element method (FEM). As a verification, our numerical results for a one dimensional PBE, which corresponds to an infinite-length macromolecule, are compared with the existing analytical solution and good agreement is found. As a ma...

electrostatic potential as well as the local volume charge density are computed for a macromolecule by solving the poisson-boltzmann equation (pbe) using the finite element method (fem). as a verification, our numerical results for a one dimensional pbe, which corresponds to an infinite-length macromolecule, are compared with the existing analytical solution and good agreement is found. as a ma...

In (1)H magnetic resonance spectroscopy, macromolecule signals underlay metabolite signals, and knowing their contribution is necessary for reliable metabolite quantification. When macromolecule signals are measured using an inversion-recovery pulse sequence, special care needs to be taken to correctly remove residual metabolite signals to obtain a pure macromolecule spectrum. Furthermore, sinc...

PURPOSE The macromolecule signal plays a key role in the precision and the accuracy of the metabolite quantification in short-TE (1) H MR spectroscopy. Macromolecules have been reported at 1.5 Tesla (T) to depend on the cerebral studied region and to be age specific. As metabolite concentrations vary locally, information about the profile of the macromolecule signal in different tissues may be ...

INTRODUCTION Intramacromolecular forces (IMFs) of a macromolecule control its conformation and deformability under stress. For instance, shear will induce the elongation of a macromolecule only if it is subject to a stress that overcomes its IMFs. Since changes in the conformation of a macromolecule are usually associated with changes in the viscoelastic properties of its solution, the characte...

Abstract We consider the problem of recovering three-dimensional atomic structure a flexible macromolecule from heterogeneous cryogenic electron microscopy (cryo-EM) dataset. The dataset contains noisy tomographic projections electrostatic potential macromolecule, taken different viewing directions, and in case, each cryo-EM image corresponds to conformation macromolecule. Under assumption that...