Internal coarse-graining of molecular systems

J Feret, V Danos, J Krivine… - Proceedings of the …, 2009 - National Acad Sciences
Modelers of molecular signaling networks must cope with the combinatorial explosion of
protein states generated by posttranslational modifications and complex formation. Rule …

Ligand‐dependent responses of the ErbB signaling network: experimental and modeling analyses

MR Birtwistle, M Hatakeyama, N Yumoto… - Molecular systems …, 2007 - embopress.org
Deregulation of ErbB signaling plays a key role in the progression of multiple human
cancers. To help understand ErbB signaling quantitatively, in this work we combine …

Rule‐based modeling: a computational approach for studying biomolecular site dynamics in cell signaling systems

LA Chylek, LA Harris, CS Tung… - … Systems Biology and …, 2014 - Wiley Online Library
Rule‐based modeling was developed to address the limitations of traditional approaches for
modeling chemical kinetics in cell signaling systems. These systems consist of multiple …

[HTML][HTML] Scaffolding protein Grb2-associated binder 1 sustains epidermal growth factor-induced mitogenic and survival signaling by multiple positive feedback loops

A Kiyatkin, E Aksamitiene, NI Markevich… - Journal of biological …, 2006 - ASBMB
Grb2-associated binder 1 (GAB1) is a scaffold protein involved in numerous interactions that
propagate signaling by growth factor and cytokine receptors. Here we explore in silico and …

Scalable simulation of cellular signaling networks

V Danos, J Feret, W Fontana, J Krivine - Asian Symposium on …, 2007 - Springer
Given the combinatorial nature of cellular signalling pathways, where biological agents can
bind and modify each other in a large number of ways, concurrent or agent-based …

[HTML][HTML] Rapid phospho-turnover by receptor tyrosine kinases impacts downstream signaling and drug binding

LB Kleiman, T Maiwald, H Conzelmann… - Molecular cell, 2011 - cell.com
Epidermal growth factor receptors (ErbB1–4) are oncogenic receptor tyrosine kinases
(RTKs) that regulate diverse cellular processes. In this study, we combine measurement and …

[HTML][HTML] Quantitative immunology for physicists

G Altan-Bonnet, T Mora, AM Walczak - Physics Reports, 2020 - Elsevier
The adaptive immune system is a dynamical, self-organized multiscale system that protects
vertebrates from both pathogens and internal irregularities, such as tumors. For these …

Mechanistic model of MAPK signaling reveals how allostery and rewiring contribute to drug resistance

F Fröhlich, L Gerosa, J Muhlich… - Molecular Systems …, 2023 - embopress.org
BRAF is prototypical of oncogenes that can be targeted therapeutically and the treatment of
BRAFV600E melanomas with RAF and MEK inhibitors results in rapid tumor regression …

Systems chemical biology

TI Oprea, A Tropsha, JL Faulon, MD Rintoul - Nature chemical biology, 2007 - nature.com
The increasing availability of data related to genes, proteins and their modulation by small
molecules has provided a vast amount of biological information leading to the emergence of …

Dimerization of VEGF receptors and implications for signal transduction: a computational study

F Mac Gabhann, AS Popel - Biophysical chemistry, 2007 - Elsevier
Vascular endothelial growth factor (VEGF) is a potent cytokine involved in the induction of
neovascularization. Secreted as a cysteine-linked dimer, it has two binding sites at opposite …