Behaviour of the model antibody fluid constrained by rigid spherical obstacles: Effects of the obstacle–antibody attraction

Abstract

This study is concerned with behaviour of fluid of monoclonal antibodies (mAbs) when trapped in a confinement represented by rigid spherical obstacles that attract antibodies. The antibody molecule is depicted...

Phase behavior of patchy colloids confined in patchy porous media

“…Finally, we note that recently the phase behavior of the patchy colloids adsorbed in the attractive random porous medium has been studied. 88,89 In these studies the medium was represented as a matrix of hard-sphere obstacles with the attractive Yukawa interaction between the centers of the fluid and matrix particles. Similar to the present study, confinement caused the system to undergo re-entrant liquid-gas phase separation.…”

“…82 The hard-sphere fluid is routinely used as a reference system in a number of thermodynamic perturbation theories. In particular, a fluid of hard spheres confined in the hard-sphere matrix was used as a reference system in the framework of the Barker–Henderson perturbation theory, 83,84 high-temperature approximation, 85 Wertheim's thermodynamic perturbation theory (TPT), 81,86–89 associative mean spherical approximation 90–93 and the collective variable method. 94–96…”

“…82 The hard-sphere fluid is routinely used as a reference system in a number of thermodynamic perturbation theories. In particular, a fluid of hard spheres confined in the hard-sphere matrix was used as a reference system in the framework of the Barker-Henderson perturbation theory, 83,84 high-temperature approximation, 85 Wertheim's thermodynamic perturbation theory (TPT), 81,[86][87][88][89] associative mean spherical approximation [90][91][92][93] and the collective variable method. [94][95][96] In the current paper we propose a simple model for functionalized disordered porous media and study the effects of confinement on the clusterization, percolation and phase behavior of a fluid of patchy particles.…”

Protein Association in Solution: Statistical Mechanical Modeling

“…The insides of biological cells are regarded as lcrowded because of the presence of a high density of molecular obstacles [133]. We have studied antibodies in two situations: one in which crowding agents are inert and their volume is simply excluded from occupancy by the antibodies [134], and one in which the obstacles are attractive for the antibodies [135]. In both cases, the obstacles are fixed (i.e., they do not move) in random positions.…”

“…In both cases, the obstacles are fixed (i.e., they do not move) in random positions. The antibodies are modeled as seven-bead particles which can interact with each other and are otherwise constrained by the obstacles [134,135]. In the case of particles that simply occupy volume, the presence of obstacles merely restricts the space available to antibodies.…”