Nexus between in silico and in vivo models to enhance clinical translation of nanomedicine

FM Kashkooli, M Soltani, M Souri, C Meaney… - Nano Today, 2021 - Elsevier
In cancer, one of the main barriers to effective chemotherapy is inefficient drug delivery. The
delivery of drugs to solid tumors involves various biochemical, biophysical, and mechanical …

Methods of model reduction for large-scale biological systems: a survey of current methods and trends

TJ Snowden, PH van der Graaf, MJ Tindall - Bulletin of mathematical …, 2017 - Springer
Complex models of biochemical reaction systems have become increasingly common in the
systems biology literature. The complexity of such models can present a number of …

Strategies for efficient numerical implementation of hybrid multi-scale agent-based models to describe biological systems

NA Cilfone, DE Kirschner, JJ Linderman - Cellular and molecular …, 2015 - Springer
Biologically related processes operate across multiple spatiotemporal scales. For
computational modeling methodologies to mimic this biological complexity, individual scale …

A hybrid mechanistic-empirical model for in silico mammalian cell bioprocess simulation

CM O'Brien, Q Zhang, P Daoutidis, WS Hu - Metabolic Engineering, 2021 - Elsevier
In cell culture processes cell growth and metabolism drive changes in the chemical
environment of the culture. These environmental changes elicit reactor control actions, cell …

Metabolic kinetic modeling provides insight into complex biological questions, but hurdles remain

J Strutz, J Martin, J Greene, L Broadbelt… - Current opinion in …, 2019 - Elsevier
Highlights•Constraint-based models are useful but do not always sufficiently answer a
question.•Kinetic models provide deeper insight into behavior of complex metabolic …

[HTML][HTML] Model reduction of genome-scale metabolic models as a basis for targeted kinetic models

RP van Rosmalen, RW Smith, VAPM Dos Santos… - Metabolic …, 2021 - Elsevier
Constraint-based, genome-scale metabolic models are an essential tool to guide metabolic
engineering. However, they lack the detail and time dimension that kinetic models with …

Quantifying the roles of space and stochasticity in computer simulations for cell biology and cellular biochemistry

ME Johnson, A Chen, JR Faeder… - Molecular Biology of …, 2021 - Am Soc Cell Biol
Most of the fascinating phenomena studied in cell biology emerge from interactions among
highly organized multimolecular structures embedded into complex and frequently dynamic …

Emergence and propagation of epistasis in metabolic networks

S Kryazhimskiy - Elife, 2021 - elifesciences.org
Epistasis is often used to probe functional relationships between genes, and it plays an
important role in evolution. However, we lack theory to understand how functional …

Complex and detailed balancing of chemical reaction networks revisited

A Van der Schaft, S Rao, B Jayawardhana - Journal of Mathematical …, 2015 - Springer
The characterization of the notions of complex and detailed balancing for mass action
kinetics chemical reaction networks is revisited from the perspective of algebraic graph …

A modular approach for modeling the cell cycle based on functional response curves

J De Boeck, J Rombouts, L Gelens - PLoS computational biology, 2021 - journals.plos.org
Modeling biochemical reactions by means of differential equations often results in systems
with a large number of variables and parameters. As this might complicate the interpretation …