350 citations · 2.2k across the 53 of their papers we have counts for
54 papers
Liquid-vapor critical behavior of the TIP4P/2005 water model: effects of NaCl solutes and hydrophobic confinement
Mayank Sharma, Peter Virnau
The liquid-vapor critical behavior of water is strongly influenced by both ionic solutes and confinement. Molecular dynamics simulations of aqueous NaCl solutions using the TIP4P/2…
Viscosity of flexible and semiflexible ring melts -- molecular origins and flow-induced segregation
Ranajay Datta, Fabian Berressem, Friederike Schmid +2
We investigate with numerical simulations the molecular origin of viscosity in melts of flexible and semiflexible oligomer rings in comparison to corresponding systems with linear…
Influence of ionic conditions on knotting in a coarse-grained model for DNA
Sarah Wettermann, Ranajay Datta, Peter Virnau
We investigate knotting probabilities of long double-stranded DNA strands in a coarse-grained Kratky-Porod model for DNA with Monte Carlo simulations. Various ionic conditions are…
Growth and aging in a few phase-separating active matter systems
Florian Dittrich, Jiarul Midya, Peter Virnau +1
Via computer simulations we study evolution dynamics in systems of continuously moving Active Brownian Particles. The obtained results are discussed against those from the passive…
AlphaFold predicts the most complex protein knot and composite protein knots
Maarten A. Brems, Robert Runkel, Todd O. Yeates +1
The computer artificial intelligence system AlphaFold has recently predicted previously unknown three-dimensional structures of thousands of proteins. Focusing on the subset with h…
Skyrmion pinning energetics in thin film systems
Raphael Gruber, Jakub Zázvorka, Maarten A. Brems +7
A key issue for skyrmion dynamics and devices are pinning effects present in real systems. While posing a challenge for the realization of conventional skyrmionics devices, exploit…