Systems pharmacology in small molecular drug discovery

W Zhou, Y Wang, A Lu, G Zhang - International journal of molecular …, 2016 - mdpi.com
Drug discovery is a risky, costly and time-consuming process depending on multidisciplinary
methods to create safe and effective medicines. Although considerable progress has been …

Scaling limits of spatial compartment models for chemical reaction networks

P Pfaffelhuber, L Popovic - 2015 - projecteuclid.org
We study the effects of fast spatial movement of molecules on the dynamics of chemical
species in a spatially heterogeneous chemical reaction network using a compartment …

A spatial measure-valued model for chemical reaction networks in heterogeneous systems

L Popovic, A Véber - The Annals of Applied Probability, 2023 - projecteuclid.org
We propose a novel measure valued process which models the behaviour of chemical
reaction networks in spatially heterogeneous systems. It models reaction dynamics between …

Single molecule simulation of diffusion and enzyme kinetics

G Perez-Rodriguez, D Gameiro… - The Journal of …, 2016 - ACS Publications
This work presents a molecular-scale agent-based model for the simulation of enzymatic
reactions at experimentally measured concentrations. The model incorporates stochasticity …

Mathematical modeling of gene expression in space and time

MK Al Douaihy - 2023 - theses.hal.science
With the development of single cell live imaging techniques, phenotypic heterogeneity
emerges, giving rise to the phenomenon known as biological" noise". This noise has been …

[PDF][PDF] Modeles individu-centrés en dynamiques adaptatives, comportement asymptotique et équation canonique: le cas des mutations petites et fréquentes

V Hass - 2023 - theses.fr
Motivated by questions of ergodicity for shift invariant Fleming-Viot process, we consider the
centered Fleming-Viot process (Zt) t⩾ 0 defined by Zt:= τ−⟨ id, Yt⟩♯ Yt, where (Yt) t⩾ 0is the …

The role of mode switching in a population of actin polymers with constraints

F Robin, A Van Gorp, A Véber - Journal of Mathematical Biology, 2021 - Springer
In this paper, we introduce a stochastic model for the dynamics of actin polymers and their
interactions with other proteins in the cellular envelop. Each polymer elongates and …

[PDF][PDF] Multiscale analysis of stochastic spatial chemical reaction networks

Stochastic modeling of chemical reactions of a set I of species by a set K of reactions is
usually done by writing ν· k 0k−! ν0· k(1) for the kth reaction, k 2 K. Here, ν· k is the vector of …