468 citations · 8.1k across the 126 of their papers we have counts for
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Lattice simulation method to model diffusion and NMR spectra in porous materials
Céline Merlet, Alexander C. Forse, John M. Griffin +2
A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations s…
Crucial role of non-specific interactions in amyloid nucleation
Anđela Šarić, Yassmine C. Chebaro, Tuomas P. J. Knowles +1
Protein oligomers have been implicated as toxic agents in a wide range of amyloid-related diseases. Yet it has remained unsolved whether the oligomers are a necessary step in the f…
Mobile linkers on DNA-coated colloids: valency without patches
Stefano Angioletti-Uberti, Patrick Varilly, Bortolo M. Mognetti +1
Colloids coated with single-stranded DNA (ssDNA) can bind selectively to other colloids coated with complementary ssDNA. The fact that DNA-coated colloids (DNACCs) can bind to spec…
Gibbs, Boltzmann, and negative temperatures
Daan Frenkel, Patrick B Warren
In a recent paper, Dunkel and Hilbert [Nature Physics 10, 67-72 (2014)] use an entropy definition due to Gibbs to provide a 'consistent thermostatistics' which forbids negative abs…
Designing stimulus-sensitive colloidal walkers
Francisco J. Martinez-Veracoechea, Bortolo M. Mognetti, Stefano Angioletti-Uberti +3
Colloidal particles with DNA `legs' that can bind reversibly to receptors on a surface can be made to `walk' if there is a gradient in receptor concentration. We use a combination…
Superposition Enhanced Nested Sampling
Stefano Martiniani, Jacob D. Stevenson, David J. Wales +1
The theoretical analysis of many problems in physics, astronomy and applied mathematics requires an efficient numerical exploration of multimodal parameter spaces that exhibit brok…