Simulation and inference algorithms for stochastic biochemical reaction networks: from basic concepts to state-of-the-art

DJ Warne, RE Baker… - Journal of the Royal …, 2019 - royalsocietypublishing.org
Stochasticity is a key characteristic of intracellular processes such as gene regulation and
chemical signalling. Therefore, characterizing stochastic effects in biochemical systems is …

Beyond deterministic models in drug discovery and development

I Irurzun-Arana, C Rackauckas, TO McDonald… - Trends in …, 2020 - cell.com
The model-informed drug discovery and development paradigm is now well established
among the pharmaceutical industry and regulatory agencies. This success has been mainly …

Catalyst: Fast and flexible modeling of reaction networks

TE Loman, Y Ma, V Ilin, S Gowda… - PLOS Computational …, 2023 - journals.plos.org
We introduce Catalyst. jl, a flexible and feature-filled Julia library for modeling and high-
performance simulation of chemical reaction networks (CRNs). Catalyst supports simulating …

Catalyst: fast biochemical modeling with Julia

TE Loman, Y Ma, V Ilin, S Gowda, N Korsbo, N Yewale… - bioRxiv, 2022 - biorxiv.org
We introduce Catalyst. jl, a flexible and feature-filled Julia library for modeling and high
performance simulation of chemical reaction networks (CRNs). Catalyst acts as both a …

Simulation of biochemical reactions with time-dependent rates by the rejection-based algorithm

VH Thanh, C Priami - The Journal of chemical physics, 2015 - pubs.aip.org
We address the problem of simulating biochemical reaction networks with time-dependent
rates and propose a new algorithm based on our rejection-based stochastic simulation …

Optimization algorithms for computational systems biology

F Reali, C Priami, L Marchetti - Frontiers in Applied Mathematics and …, 2017 - frontiersin.org
Computational systems biology aims at integrating biology and computational methods to
gain a better understating of biological phenomena. It often requires the assistance of global …

[Књига][B] Simulation algorithms for computational systems biology

L Marchetti, C Priami, VH Thanh - 2017 - Springer
The dynamics of molecular systems is an essential tool of systems biology. It helps figuring
out what is the effect of the perturbation of a system, or what is the best dose for a drug or …

Stochastic simulation algorithms for computational systems biology: Exact, approximate, and hybrid methods

G Simoni, F Reali, C Priami… - … : Systems Biology and …, 2019 - Wiley Online Library
Nowadays, mathematical modeling is playing a key role in many different research fields. In
the context of system biology, mathematical models and their associated computer …

A workflow for the hybrid modelling and simulation of multi-timescale biological systems

M Herajy, F Liu, M Heiner - BioSystems, 2025 - Elsevier
With the steady advance of in-silico biological experimentation, model construction and
simulation becomes a ubiquitous tool to understand and predict the behaviour of many …

Semantics and efficient simulation algorithms of an expressive multilevel modeling language

T Helms, T Warnke, C Maus… - ACM Transactions on …, 2017 - dl.acm.org
The domain-specific modeling and simulation language ML-Rules is aimed at facilitating the
description of cell biological systems at different levels of organization. Model states are …