28 citations · 75 across the 10 of their papers we have counts for
10 papers
Modelling Bi-specific Antibodies in Aqueous Solution
Taras Hvozd, Yurij V. Kalyuzhnyi, Vojko Vlachy
This study presents theoretical results for physico-chemical properties of system of molecules modeling bi-specific antibodies, such as, dual-variable-domain monoclonal antibodies…
On the contact conditions for the density and charge profiles in the theory of electrical double layer: From planar to spherical and cylindrical geometry
Myroslav Holovko, Vojko Vlachy, Dung di Caprio
In this paper, starting from the Bogoliubov-Born-Green-Yvon equations of the liquid-state theory, we formulate two equivalent approaches for the calculation of the total density pr…
Behaviour of the model antibody fluid constrained by rigid spherical obstacles. Effects of the obstacle--antibody attraction
Taras Hvozd, Yurij V. Kalyuzhnyi, Myroslav Holovko +1
This study is concerned with behaviour of fluid of monoclonal antibodies (mAbs) when trapped in a confinement represented by rigid spherical obstacles that attract proteins. The an…
Fluid of fused spheres as a model for protein solution
M. Kastelic, Yu. V. Kalyuzhnyi, V. Vlachy
In this work we examine thermodynamics of fluid with "molecules" represented by two fused hard spheres, decorated by the attractive square-well sites. Interactions between these si…
Salt-specific effects in lysozyme solutions
T. Janc, M. Kastelic, M. Boncina +1
The effects of additions of low-molecular-mass salts on the properties of aqueous lysozyme solutions are examined by using the cloud-point temperature, , measurements. M…
Effects of translational and rotational degrees of freedom on the properties of model water
T. Mohorič, B. Hribar-Lee, V. Vlachy
Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of wat…
Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study
M. Druchok, Č. Podlipnik, V. Vlachy
We present an explicit water molecular dynamics simulation of dilute solutions of model alkyltrimethylammonium surfactant ions (number of methylene groups in the tail is 3, 5, 8, 1…
Modelling the ion-exchange equilibrium in nanoporous materials
M. Luksic, V. Vlachy, B. Hribar-Lee
Distribution of a two component electrolyte mixture between the model adsorbent and a bulk aqueous electrolyte solution was studied using the replica Ornstein-Zernike theory and th…
Correlation between flexibility of chain-like polyelectrolyte and thermodynamic properties of its solution
T. Sajevic, J. Rescic, V. Vlachy
Structural and thermodynamic properties of the model solution containing charged oligomers and the equivalent number of counterions were studied by means of the canonical Monte Car…
Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data
E. Gutiérrez-Valladares, M. Luksic, B. Millán-Malo +2
Accuracy of the mean activity coefficient expression (Hansen-Vieillefosse-Belloni equation), valid within the hypernetted chain (HNC) approximation, was tested in a wide concentrat…