Parameter estimation and uncertainty quantification for systems biology models

ED Mitra, WS Hlavacek - Current opinion in systems biology, 2019 - Elsevier
Mathematical models can provide quantitative insights into immunoreceptor signaling, and
other biological processes, but require parameterization and uncertainty quantification …

PyBioNetFit and the biological property specification language

ED Mitra, R Suderman, J Colvin, A Ionkov, A Hu… - IScience, 2019 - cell.com
In systems biology modeling, important steps include model parameterization, uncertainty
quantification, and evaluation of agreement with experimental observations. To help …

A probabilistic model of the germinal center reaction

MJ Thomas, U Klein, J Lygeros… - Frontiers in …, 2019 - frontiersin.org
Germinal centers (GCs) are specialized compartments within the secondary lymphoid
organs, where B cells proliferate, differentiate, and mutate their antibody genes. Upon exit …

Computer aided recipe design: optimization of polydisperse chemical mixtures using molecular descriptors

A MacKenzie, J Schneider, J Meyer… - Reaction Chemistry & …, 2024 - pubs.rsc.org
A workflow has been developed allowing for the computer aided design and optimization of
reactive systems using the concept of molecular descriptor-based similarity. Unlike single …

MCell-R: A particle-resolution network-free spatial modeling framework

JJ Tapia, AS Saglam, J Czech, R Kuczewski… - … Site Dynamics: Methods …, 2019 - Springer
Spatial heterogeneity can have dramatic effects on the biochemical networks that drive cell
regulation and decision-making. For this reason, a number of methods have been …

Modeling cell line-specific recruitment of signaling proteins to the insulin-like growth factor 1 receptor

KE Erickson, OS Rukhlenko… - PLoS computational …, 2019 - journals.plos.org
Receptor tyrosine kinases (RTKs) typically contain multiple autophosphorylation sites in
their cytoplasmic domains. Once activated, these autophosphorylation sites can recruit …

Intrinsic limits of information transmission in biochemical signalling motifs

R Suderman, EJ Deeds - Interface Focus, 2018 - royalsocietypublishing.org
All living things have evolved to sense changes in their environment in order to respond in
adaptive ways. At the cellular level, these sensing systems generally involve receptor …

[HTML][HTML] Scaling methods for accelerating kinetic Monte Carlo simulations of chemical reaction networks

YT Lin, S Feng, WS Hlavacek - The Journal of Chemical Physics, 2019 - pubs.aip.org
Various kinetic Monte Carlo algorithms become inefficient when some of the population
sizes in a system are large, which gives rise to a large number of reaction events per unit …

Stochastic simulation of binary annihilation reactions within q-analysis formalism

J Bastardo, N Luiggi - arXiv preprint arXiv:2405.03922, 2024 - arxiv.org
Although Gillespie's algorithm is justified under a set of axioms based on the assumption of
homogeneity of the system, many chemical systems deviate from this assumption, as is the …

Computer Aided Recipe Design: Optimization of Polydisperse Chemical Mixtures using Molecular Descriptors

A Massolle, J Schneider, J Meyer, C Loschen - 2023 - chemrxiv.org
A workflow has been developed allowing for the computer aided design and optimization of
reactive systems using the concept of molecular descriptor-based similarity. Unlike single …