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Proteins, which incorporate charged and hydrophobic amino acid residues, are useful as a material of nanotechnology. Among these proteins, IPMDH (3-isopropylmalate dehydrogenase), which has thermal stability, has potential as a material of nanofiber. In this study, we performed coarse-grained molecular dynamics simulation of IPMDH using MARTINI force fields, and we investigated the orientation for the binding of IPMDH. In simulation, we analyzed wild type of IPMDH and the mutated IPMDH proteins, where 13, 20, 27, 332, 335 and 338th amino acid residues are replaced by lysine residues which have positive charge and by glutamic acid residues which have negative charge. Since the binding of mutated IPMDH is advantageous compared with the binding of wild type for one orientation, we suggest that the Coulomb interaction for the binding of IPMDH is important. [ABSTRACT FROM AUTHOR]

We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ= U[n〈a〈-〈nb〈] is calculated and computed numerically. The results are reported. [ABSTRACT FROM AUTHOR]

We report here a microscopic tight binding theoretical model study of ferromagnetism in graphene taking into account of substrate effect and Coulomb interaction in both the sub-lattices of the honeycomb lattice. The Coulomb interaction is treated here within mean-field approximation giving rise to the ferromagnetic magnetization under different electron occupancies of graphene. The temperature dependent ferromagnetic magnetization is calculated from the electron co-relations obtained from the electron Green's functions. It is observed that ferromagnetic gap displaces sudden change for different electron occupancies separating paramagnetic from the ferromagnetic phase. The effect of on-site Coulomb interaction energy, electron occupancy and temperature on ferromagnetic gap is investigated and is reported in this communication. [ABSTRACT FROM AUTHOR]

The Coulomb interaction of holes in a Semimagnetic Cd1-xMnxTe/CdTe Spherical and Cubical Quantum Dot (SMQD) in a magnetic field is studied using variational approach in the effective mass approximation. Since these holes in QD show a pronounced collective behavior, while distinct single particle phenomena is suppressed, their interaction in confined potential becomes very significant. It has been observed that acceptor-acceptor interaction is more in cubical QD than in spherical QD which can be controlled by the magnetic field. The results are presented and discussed. [ABSTRACT FROM AUTHOR]

We present results of spin-orbit coupling on the electronic structure of few electron interacting double quantum dots where the ground-state properties have been studied as a function of the number of electrons, N. Both Rashba and Dresselhaus terms can dramatically change the energy spectra of double quantum dots (DQD), inducing anti-crossings and spin hot spots. In addition, effects of spin-orbit interaction can be tuned by the number of electrons and the coupling strength between two dots. [ABSTRACT FROM AUTHOR]