A simple model of cardiac mitochondrial respiration with experimental validation.

Cardiac mitochondria are intracellular organelles that play an important role in energy metabolism and cellular calcium regulation. In particular, they influence the excitation-contraction cycle of the heart cell. A large number of mathematical models have been proposed to better understand the mitochondrial dynamics, but they generally show a high level of complexity, and their parameters are very hard to fit to experimental data.

Cell membrane permeabilization by 12-ns electric pulses: Not a purely dielectric, but a charge-dependent phenomenon.

Electric pulses of a few nanoseconds in duration can induce reversible permeabilization of cell membrane and cell death. Whether these effects are caused by ionic or purely dielectric phenomena is still discussed. We address this question by studying the impact of conductivity of the pulsing buffer on the effect of pulses of 12 ns and 3.

Cell scale modeling of electropermeabilization by periodic pulses.

In this paper, we focus on the behaviour of periodic solutions to a cell-scale electropermeabilization model previously proposed by Kavian et al. [6]. Since clinical permeabilization protocols mostly submit cancer cells to trains of periodic pulses, we investigate on parameters that modify significantly the resulting permeabilization.

"Classical" electropermeabilization modeling at the cell scale.

The aim of this paper is to provide new models of cell electropermeabilization involving only a few parameters. A static and a dynamical model, which are based on the description of the electric potential in a biological cell, are derived. Existence and uniqueness results are provided for each differential system, and an accurate numerical method to compute the solution is described.

Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes.

Understanding how ligands bind to G-protein coupled receptors (GPCRs) provides insights into a myriad of cell processes and is crucial for drug development. Here we extend a hybrid molecular mechanics/coarse-grained (MM/CG) approach applied previously to enzymes to GPCR/ligand complexes. The accuracy of this method for structural predictions is established by comparison with recent atomistic molecular dynamics simulations on the human β2 adrenergic receptor, a member of the GPCRs superfamily.