SE Telesco, R Radhakrishnan - Annals of biomedical engineering, 2012 - Springer
We review current advances in experimental as well as computational modeling and simulation approaches to structural systems biology, whose overall aim is to build …
T Thomas, B Roux - The European Physical Journal B, 2021 - Springer
Classical molecular dynamics (MD) simulations based on atomic models play an increasingly important role in a wide range of applications in physics, biology, and …
Human physiological functions are regulated across many orders of magnitude in space and time. Integrating the information and dynamics from one scale to another is critical for the …
Efficient and accurate mapping of transition pathways is a challenging problem in allosteric proteins. We propose here a to our knowledge new methodology called collective molecular …
B Schoeberl - Current Opinion in Systems Biology, 2019 - Elsevier
Recent advances in experimentation and computation have allowed us to build multiscale models of unprecedented scale. Quantitative Systems Pharmacology (QSP) models are …
SS Bajikar, KA Janes - Annals of biomedical engineering, 2012 - Springer
Computational models of signal transduction face challenges of scale below the resolution of a single cell. Here, we organize these challenges around three key interfaces for …
Drug action is inherently multiscale: it connects molecular interactions to emergent properties at cellular and larger scales. Simulation techniques at each of these different …
N Jagiella, D Rickert, FJ Theis, J Hasenauer - Cell systems, 2017 - cell.com
Mechanistic understanding of multi-scale biological processes, such as cell proliferation in a changing biological tissue, is readily facilitated by computational models. While tools exist to …
Ligand-induced protein allostery plays a central role in modulating cellular signalling pathways. Here using the conserved cyclic nucleotide-binding domain of protein kinase A's …