Related papers: Influence of subunit structure on the oligomerizat…
We will construct a simple four qubits Hamiltonian of the Rs. molischianum purple bacteria light harvesting complex II (LH-II) ring which yields energy levels that carry the ring's oscillator strength. In an excitonic representation, these…
We perform a quantum mechanical study of the peptides that are part of the LH2 complex from Rhodopseudomonas acidophila, a non-sulfur purple bacteria that has the ability of producing chemical energy from photosynthesis. The electronic…
The LH-II of purple bacteria Rhodospirillum (Rs.) molischianum and Rhodopseudomonas (Rps.) acidophila adopts a highly symmetrical ring shape, with a radius of about 7 nm. In the case of Rps. acidophila the ring has a ninefold symmetry axis,…
Light-harvesting bacteria Rhodospirillum Photometricum were recently found to adopt strikingly different architectures depending on illumination conditions. We present analytic and numerical calculations which explain this observation by…
Three dimensional relative free energy calculations are used to directly calculate the dependence of the preferred sidechain rotamers for valine and leucine on the conformation of the backbone. Specifically, umbrella restrained molecular…
Protein aggregation in cell membrane is vital for the majority of biological functions. Recent experimental results suggest that transmembrane domains of proteins such as $\alpha$-helices and $\beta$-sheets have different structural…
We examine the statistics of the low-redshift Ly-alpha forest in an adaptive mesh refinement hydrodynamic cosmological simulation of sufficient volume to include distinct large-scale environments. We compare our HI column density…
We present results on the structural properties of massive passive galaxies in three clusters at $1.39<z<1.61$ from the KMOS Cluster Survey. We measure light-weighted and mass-weighted sizes from optical and near-infrared Hubble Space…
The extent of exciton coherence in protein-pigment complexes has significant implications for the initial light harvesting step in photosynthetic organisms. In this work we model the main antenna protein of photosystem II, namely light…
Properties of $\sim$ 5000 observed Ly-$\alpha$ absorbers are investigated using the model of formation and evolution of DM structure elements based on the Zel'dovich theory. This model is generally consistent with simulations of absorbers…
We enumerate all local minima of the energy landscape for model rigid adsorbates characterized by three or four equivalent binding sites (e.g., thiol groups) on a close-packed (111) surface of a face-centered-cubic crystal. We show that the…
Some species of purple bacteria as, e.g., Rhodobacter sphaeroides contain the protein PufX. Concurrently, the light harvesting complexes 1 (LH1) form dimers of open rings. In mutants without PufX, the LH1s are closed rings and…
Based on density functional theory calculations, the structural and electronic properties of polythiophene in periodic and oligomer forms have been investigated. In particular, the effects of Li or Cl adsorption onto a monolayer and Li or…
We present an analytical investigation of the optical absorption spectrum of monolayer molybdenumdisulfide. Based on the density matrix formalism, our approach gives insights into the microscopic origin of excitonic transitions, their…
Processes on different length scales affect the dynamics of chain molecules. In this work, we focus on structures on the scale of a monomer and investigate polyolefins, i.e. hydrocarbon chains with different small scale architectures. We…
During photoheterotrophic growth on organic substrates, purple nonsulfur photosynthetic bacteria like Rhodospirillum rubrum can acquire electrons by multiple means, including oxidation of organic substrates, oxidation of inorganic electron…
We discuss the effects of gravitational collapse on the shape of absorption line profiles for low column density (log N(HI) < 14) Lyman Alpha forest clouds and argue by comparison with cosmological simulations that Lyman alpha forest…
The electronic structure of a multichromophoric molecular complex containing two of each borondipyrromethane dye, Zn-tetraphenyl-porphyrin, bisphenyl anthracene and a fullerene are studied using density functional theory. The snowflake…
Availability of high-resolution crystal structures of ribosomal subunits of different species opens a route to investigate about molecular interactions between its constituents and stabilization strategy. Structural analysis of the small…
Lipid structures exhibit complex and highly dynamic lateral structure; and changes in lipid density and fluidity are believed to play an essential role in membrane targeting and function. The dynamic structure of liquids on the molecular…