Zobrazeno 1 - 10
of 161
pro vyhledávání: '"Emberly, Eldon"'
Hydrophobicity is thought to be one of the primary forces driving the folding of proteins. On average, hydrophobic residues occur preferentially in the core, whereas polar residues tends to occur at the surface of a folded protein. By analyzing the k
Externí odkaz:
http://arxiv.org/abs/q-bio/0312010
Protein folds are built primarily from the packing together of two types of structures: alpha-helices and beta-sheets. Neither structure is rigid, and the flexibility of helices and sheets is often important in determining the final fold ({\it e.g.},
Externí odkaz:
http://arxiv.org/abs/cond-mat/0309119
Autor:
Emberly, Eldon G., Kirczenow, George
Ab-initio total energy calculations reveal benzene-dithiolate (BDT) molecules on a gold surface, contacted by a monoatomic gold STM tip to have two classes of low energy conformations with differing symmetries. Lateral motion of the tip or excitation
Externí odkaz:
http://arxiv.org/abs/cond-mat/0301296
We construct a minimalist model of RNA secondary-structure formation and use it to study the mapping from sequence to structure. There are strong, qualitative differences between two-letter and four or six-letter alphabets. With only two kinds of bas
Externí odkaz:
http://arxiv.org/abs/cond-mat/0209620
$\alpha$-helices stand out as common and relatively invariant secondary structural elements of proteins. However, $\alpha$-helices are not rigid bodies and their deformations can be significant in protein function ({\it e.g.} coiled coils). To quanti
Externí odkaz:
http://arxiv.org/abs/cond-mat/0209595
Publikováno v:
PNAS 99, 11163 (2002)
A typical protein structure is a compact packing of connected alpha-helices and/or beta-strands. We have developed a method for generating the ensemble of compact structures a given set of helices and strands can form. The method is tested on structu
Externí odkaz:
http://arxiv.org/abs/cond-mat/0206394
Autor:
Emberly, Eldon, Kirczenow, George
We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the conductance measu
Externí odkaz:
http://arxiv.org/abs/cond-mat/0201344
Using an off-lattice model, we fully enumerate folded conformations of polypeptide chains of up to N = 19 monomers. Structures are found to differ markedly in designability, defined as the number of sequences with that structure as a unique lowest-en
Externí odkaz:
http://arxiv.org/abs/cond-mat/0110210
Autor:
Emberly, Eldon, Kirczenow, George
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to molecular wires
Externí odkaz:
http://arxiv.org/abs/cond-mat/0107147
Autor:
Emberly, Eldon G., Kirczenow, George
We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering probabilities. The
Externí odkaz:
http://arxiv.org/abs/cond-mat/0009386