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Predicting protein functional characteristics from structure remains a central problem in protein science, with broad implications from understanding the mechanisms of disease to designing novel therapeutics. Unfortunately, current machine…

Biological Physics · Physics 2024-09-30 Kevin Borisiak , Gian Marco Visani , Armita Nourmohammad

The number of ribosomes in a cell is considered as limiting, and gene expression is thus largely determined by their cellular concentration. In this work we develop a toy model to study the trade-off between the ribosomal supply and the…

Subcellular Processes · Quantitative Biology 2020-02-19 Pascal S. Rogalla , Timothy J. Rudge , Luca Ciandrini

Identification of critical residues of a protein is actively pursued, since such residues are essential for protein function. We present three ways of recognising critical residues of an example protein, the evolution of which is tracked…

Biomolecules · Quantitative Biology 2025-06-13 Chuqiao Zhang , Sarath Chandra Dantu , Debarghya Mitra , Dalia Chakrabarty

Generative Adversarial Networks (GANs) represent an attractive and novel approach to generate realistic data, such as genes, proteins, or drugs, in synthetic biology. Here, we apply GANs to generate synthetic DNA sequences encoding for…

Genomics · Quantitative Biology 2018-04-06 Anvita Gupta , James Zou

Protein design often begins with the knowledge of a desired function from a motif which motif-scaffolding aims to construct a functional protein around. Recently, generative models have achieved breakthrough success in designing scaffolds…

Although machine-learning potentials have recently had substantial impact on molecular simulations, the construction of a robust training set can still become a limiting factor, especially due to the requirement of a reference ab initio…

Chemical Physics · Physics 2023-03-29 Krystof Brezina , Hubert Beck , Ondrej Marsalek

Cellular differentiation is governed by gene regulatory networks, the high-dimensional stochastic biochemical systems that determine the transcriptional landscape and mediate cellular responses to signals and perturbations. Although…

Molecular Networks · Quantitative Biology 2026-04-29 Suryanarayana Maddu , Victor Chardès , Michael J. Shelley

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

regulation largely unexplored, in part due to methodological limitations. Indeed, we review evidence demonstrating that commonly used methods, such as transcriptomics, are inadequate because the variability in mRNAs coding for ribosomal…

Quantitative Methods · Quantitative Biology 2020-09-01 Aleksandra A. Petelski , Nikolai Slavov

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Protein translation is a multistep process which can be represented as a cascade of biochemical reactions (initiation, ribosome assembly, elongation, etc.), the rate of which can be regulated by small non-coding microRNAs through multiple…

Molecular Networks · Quantitative Biology 2010-03-09 Andrei Zinovyev , Nadya Morozova , Nora Nonne , Emmanuel Barillot , Annick Harel-Bellan , Alexander N. Gorban

Analyzing social networks is challenging. Key features of relational data require the use of non-standard statistical methods such as developing system-specific null, or reference, models that randomize one or more components of the…

Social and Information Networks · Computer Science 2021-03-08 Elizabeth A. Hobson , Matthew J. Silk , Nina H. Fefferman , Daniel B. Larremore , Puck Rombach , Saray Shai , Noa Pinter-Wollman

We study the problem of synthesizing a number of likely future frames from a single input image. In contrast to traditional methods, which have tackled this problem in a deterministic or non-parametric way, we propose a novel approach that…

Computer Vision and Pattern Recognition · Computer Science 2016-07-12 Tianfan Xue , Jiajun Wu , Katherine L. Bouman , William T. Freeman

Protein synthesis rates are determined, at the translational level, by properties of the transcript's sequence. The efficiency of an mRNA can be tuned by varying the ribosome binding sites controlling the recruitment of the ribosomes, or…

Subcellular Processes · Quantitative Biology 2017-12-14 Lucas D. Fernandes , Alessandro P. S. de Moura , Luca Ciandrini

Despite the importance of a thermodynamically stable structure with a conserved fold for protein function, almost all evolutionary models neglect site-site correlations that arise from physical interactions between neighboring amino acid…

Populations and Evolution · Quantitative Biology 2013-12-04 Andrew J. Bordner , Hans D. Mittelmann

Recently described stochastic models of protein evolution have demonstrated that the inclusion of structural information in addition to amino acid sequences leads to a more reliable estimation of evolutionary parameters. We present a…

Populations and Evolution · Quantitative Biology 2020-09-22 Michael Golden , Eduardo García-Portugués , Michael Sørensen , Kanti V. Mardia , Thomas Hamelryck , Jotun Hein

We introduce a biologically detailed, stochastic model of gene expression describing the multiple rate-limiting steps of transcription, nuclear pre-mRNA processing, nuclear mRNA export, cytoplasmic mRNA degradation and translation of mRNA…

Molecular Networks · Quantitative Biology 2024-01-24 Muhan Ma , Juraj Szavits-Nossan , Abhyudai Singh , Ramon Grima

Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable…

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

Proteins move and deform to ensure their biological functions. Despite significant progress in protein structure prediction, approximating conformational ensembles at physiological conditions remains a fundamental open problem. This paper…

Biomolecules · Quantitative Biology 2025-04-07 Valentin Lombard , Sergei Grudinin , Elodie Laine