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The poly-tRNA model was recently presented for the origin and evolution of genetic coding. This model has led to a rather precise description of what might have occurred at the beginning of protein synthesis in the first life form. Here, we…

Populations and Evolution · Quantitative Biology 2020-08-17 Jacques H. Daniel

Generative models emerge as promising candidates for novel sequence-data driven approaches to protein design, and for the extraction of structural and functional information about proteins deeply hidden in rapidly growing sequence…

Biomolecules · Quantitative Biology 2021-11-10 Jeanne Trinquier , Guido Uguzzoni , Andrea Pagnani , Francesco Zamponi , Martin Weigt

We present an approach for flux analysis in process algebra models of biological systems. We perceive flux as the flow of resources in stochastic simulations. We resort to an established correspondence between event structures, a broadly…

Computational Engineering, Finance, and Science · Computer Science 2010-02-23 Ozan Kahramanoğullari

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Generative probabilistic models have shown promise in designing artificial RNA and protein sequences but often suffer from high rates of false positives, where sequences predicted as functional fail experimental validation. To address this…

Biomolecules · Quantitative Biology 2025-04-03 Francesco Calvanese , Giovanni Peinetti , Polina Pavlinova , Philippe Nghe , Martin Weigt

Many fundamental biological processes are regulated by protein-DNA complexes called {\it synaptosomes}, which possess multiple interaction sites. Despite the critical importance of synaptosomes, the mechanisms of their formation remain not…

Soft Condensed Matter · Physics 2020-01-29 Cayke Felipe , Jaeoh Shin , Yulia Loginova , Anatoly B. Kolomeisky

In contrast to engineering applications, in which the structure of control laws are designed to satisfy prescribed function requirements, in biology it is often necessary to infer gene-circuit function from incomplete data on gene-circuit…

Molecular Networks · Quantitative Biology 2007-05-23 Mary J. Dunlop , Michael E. Wall

In this paper, we use the framework of infinitesimal homeostasis to study general design principles for the occurrence of homeostasis in gene regulatory networks. We assume that the dynamics of the genes explicitly includes both…

Molecular Networks · Quantitative Biology 2023-09-14 Fernando Antoneli , Martin Golubitsky , Jiaxin Jin , Ian Stewart

Biological structure and function depend on complex regulatory interactions between many genes. A wealth of gene expression data is available from high-throughput genome-wide measurement technologies, but effective gene regulatory network…

Molecular Networks · Quantitative Biology 2016-03-28 Arwen Vanice Bradley , Ye Henry Li , Bokyung Choi , Wing Hung Wong

This report proposes a novel framework for a rigorous robustness analysis of stochastic biochemical systems. The technique is based on probabilistic model checking. We adapt the general definition of robustness introduced by Kitano to the…

Numerical Analysis · Computer Science 2013-10-18 Lubos Brim , Milan Ceska , Sven Drazan , David Safranek

Pipe flow models are developed with a focus on their eventual use for feedback control design at the process control level, as opposed to the unit level, in gas processing facilities. Accordingly, linearized facility-scale models are…

Systems and Control · Electrical Eng. & Systems 2022-11-16 Sven Brüggemann , Robert H. Moroto , Robert R. Bitmead

Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic…

Biomolecules · Quantitative Biology 2007-05-23 Yujiro Richard Yamada , Charles S. Peskin

We present a machine learning framework for modeling protein dynamics. Our approach uses L1-regularized, reversible hidden Markov models to understand large protein datasets generated via molecular dynamics simulations. Our model is…

Biomolecules · Quantitative Biology 2014-05-08 Robert T. McGibbon , Bharath Ramsundar , Mohammad M. Sultan , Gert Kiss , Vijay S. Pande

We propose Pullback Flow Matching (PFM), a novel framework for generative modeling on data manifolds. Unlike existing methods that assume or learn restrictive closed-form manifold mappings for training Riemannian Flow Matching (RFM) models,…

Machine Learning · Computer Science 2025-07-10 Friso de Kruiff , Erik Bekkers , Ozan Öktem , Carola-Bibiane Schönlieb , Willem Diepeveen

Decomposition of biomolecular reaction networks into pathways is a powerful approach to the analysis of metabolic and signalling networks. Current approaches based on analysis of the stoichiometric matrix reveal information about…

Molecular Networks · Quantitative Biology 2018-08-14 Peter J. Gawthrop , Edmund J. Crampin

A simple model for the force-dependent unwinding and rewinding rates of the nucleosome inner turn is constructed and quantitatively compared to the results of recent measurements [A. H. Mack et al., J. Mol. Biol. 423, 687 (2012)]. First, a…

Biomolecules · Quantitative Biology 2015-06-11 S. G. J. Mochrie , A. H. Mack , D. J. Schlingman , R. Collins , M. Kamenetska , L. Regan

In recent years, several machine learning approaches have been proposed to predict gene expression and epigenetic signals from the DNA sequence alone. These models are often used to deduce, and, to some extent, assess putative new…

Genomics · Quantitative Biology 2023-04-26 Laurent Bréhélin

Based on the BioBricks standard, restriction synthesis is a novel catabolic iterative DNA synthesis method that utilizes endonucleases to synthesize a query sequence from a reference sequence. In this work, the reference sequence is built…

Signal Processing · Electrical Eng. & Systems 2020-12-14 Ethan J. Moyer , Anup Das

The scarcity of experimental protein-ligand complexes poses a significant challenge for training robust deep learning models for molecular docking. Given the prohibitive cost and time constraints associated with experimental structure…

Biomolecules · Quantitative Biology 2025-09-17 Sofiene Khiari , Matthew R. Masters , Amr H. Mahmoud , Markus A. Lill