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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2009 · cond-mat.softShow all

6 papers · 2 filters

cond-mat.soft2009★ 35 cited

Tube Width Fluctuations in F-Actin Solutions

J. Glaser, D. Chakraborty, K. Kroy +6

We determine the statistics of the local tube width in F-actin solutions, beyond the usually reported mean value. Our experimental observations are explained by a segment fluid the…

cond-mat.soft2009★ 14 cited

Thermodynamics of tubelike flexible polymers

Thomas Vogel, Thomas Neuhaus, Michael Bachmann +1

In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius o…

cond-mat.soft2009★ 10 cited

Polymers in crowded environment under stretching force: globule-coil transitions

V. Blavatska, W. Janke

We study flexible polymer macromolecules in a crowded (porous) environment, modelling them as self-attracting self-avoiding walks (SASAW) on site-diluted percolative lattices in sp…

cond-mat.soft2009

Different Kinds of Protein Folding Identified with a Coarse-Grained Heteropolymer Model

Stefan Schnabel, Michael Bachmann, Wolfhard Janke

Applying multicanonical simulations we investigated folding properties of off-lattice heteropolymers employing a mesoscopic hydrophobic-polar model. We study for various sequences…

cond-mat.soft2009★ 1 cited

Freezing and collapse of flexible polymers

Thomas Vogel, Michael Bachmann, Wolfhard Janke

We analyze the freezing and collapse transition of a simple model for flexible polymer chains on simple cubic and face-centered cubic lattices by means of sophisticated chain-growt…

cond-mat.soft2009★ 17 cited

Thickness-dependent secondary structure formation of tubelike polymers

Thomas Vogel, Thomas Neuhaus, Michael Bachmann +1

By means of sophisticated Monte Carlo methods, we investigate the conformational phase diagram of a simple model for flexible polymers with explicit thickness. The thickness constr…