Related papers: Folding and form: Insights from lattice simulation…
In this paper we show that a dynamical description of the protein folding process provides an effective representation of equilibrium properties and it allows for a direct investigation of the mechanisms ruling the approach towards the…
Compliant environments can mediate interactions between mechanically active cells like fibroblasts. Starting with a phenomenological model for the behaviour of single cells, we use extensive Monte Carlo simulations to predict non-trivial…
Here we present a new perspective to the breakdown of ferromagnetic order in two-dimensional spin-lattice models employing the rotation of the underlying lattice. Using an Ising spin system on a square lattice as a prototype, we demonstrate…
Two proteins, one belonging to the mainly alpha class and the other belonging to the alpha/beta class, are selected to test a kinetic mechanism for protein folding. Targeted molecular dynamics is applied to generate folding pathways for…
Designing a robot or structure that can fold itself into a target shape is a process that involves challenges originated from multiple sources. For example, the designer of rigid self-folding robots must consider foldability from geometric…
In a similar way in which the folding of single--domain proteins provide an important test in the study of self--organization, the folding of homodimers constitute a basic challenge in the quest for the mechanisms which are at the basis of…
Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…
A lattice model with soft repulsion followed by attraction is developed for a monolayer of hybrid core-shell particles self-assembling at an interface. The model is solved exactly in one dimension. One, two or three periodic structures and…
Frustrated magnets with degenerate ground states exhibit exotic ground states and rich phase structures when perturbations and/or thermal fluctuations lift the degeneracy. In two-dimensional models with short-range interactions, continuous…
A system of two self and mutual interacting ring polymers, close together in space, can display several competing equilibrium phases and phase transitions. Using Monte Carlo simulations and combinatorial arguments on a corresponding lattice…
In this paper, we presented an experimental and theoretical analysis of the formation of the contact between a smooth elastomer lens and an elastomer substrate micropatterned with hexagonal arrays of cylindrical pillars. We show using a JKR…
We explore reshaping of nematoelastic films upon imbibing an isotropic solvent under conditions when isotropic and nematic phases coexist. The structure of the interphase boundary is computed taken into account the optimal nematic…
The use of origami in engineering has significantly expanded in recent years, spanning deployable structures across scales, folding robotics, and mechanical metamaterials. However, finding foldable paths can be a formidable task as the…
Origami morphing, obtained with patches of piecewise smooth isometries separated by straight fold lines, is an exquisite art that has already received considerable attention in the mathematics and mechanics literature. Curved fold lines,…
Understanding how a stressor applied on a biological system shapes its evolution is key to achieving targeted evolutionary control. Here we present a toy model of two interacting lattice proteins to quantify the response to the selective…
The analytic form of the lattice quark propagator is used to derive the functional form for short distance mesonic correlators. These are then used to calculate ``Continuum Model'' Ansatze which comprise of a pole, representing the ground…
We consider a two-dimensional lattice model for liquid crystals consisting of long rods interacting via purely hard core interactions, with two allowed orientations defined by the underlying lattice. We rigorously prove the existence of a…
Colloidal particles, amphiphiles, and functionalized nanoparticles are examples of systems that frequently exhibit short-range attractions coupled with long-range repulsions. In this work, we observe striking differences in the dynamics of…
Using a non-Abelian density matrix renormalization group method we determine the phase diagram of the Kondo lattice model in one dimension, by directly measuring the magnetization of the ground-state. This allowed us to discover a second…
A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite…