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Many biochemical applications such as molecular property prediction require models to generalize beyond their training domains (environments). Moreover, natural environments in these tasks are structured, defined by complex descriptors such…

Machine Learning · Computer Science 2020-10-08 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Current genomic foundation models (GFMs) rely on extensive neural computation to implicitly approximate conserved biological motifs from single-nucleotide inputs. We propose Gengram, a conditional memory module that introduces an explicit…

Maintaining tissue homeostasis requires appropriate regulation of stem cell differentiation. The Waddington landscape posits that gene circuits in a cell form a potential landscape of different cell types, wherein cells follow attractors of…

Quantitative Methods · Quantitative Biology 2023-09-15 Rongsheng Huang , Qiaojun Situ , Jinzhi Lei

Cryogenic electron microscopy (cryo-EM) has transformed structural biology by allowing to reconstruct 3D biomolecular structures up to near-atomic resolution. However, the 3D reconstruction process remains challenging, as the 3D structures…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Bongjin Koo , Julien Martel , Ariana Peck , Axel Levy , Frédéric Poitevin , Nina Miolane

Molecular simulations have assumed a paramount role in the fields of chemistry, biology, and material sciences, being able to capture the intricate dynamic properties of systems. Within this realm, coarse-grained (CG) techniques have…

Chemical Physics · Physics 2026-03-06 Daniele Angioletti , Stefano Raniolo , Vittorio Limongelli

Nucleosomes are the fundamental building blocks of chromatin that not only help in the folding of chromatin but also in carrying epigenetic information. It is known that nucleosome sliding is responsible for dynamically organizing chromatin…

Biological Physics · Physics 2022-08-31 Shantanu Kadam , Tripti Bameta , Ranjith Padinhateeri

Accurate prognosis for Glioblastoma (GBM) using deep learning (DL) is hindered by extreme spatial and structural heterogeneity. Moreover, inconsistent MRI acquisition protocols across institutions hinder generalizability of models.…

Machine Learning · Computer Science 2026-02-13 Ankita Paul , Wenyi Wang

The three-dimensional organization of chromatin is thought to play an important role in controlling gene expression. Specificity in expression is achieved through the interaction of transcription factors and other nuclear proteins with…

Biological Physics · Physics 2025-07-22 Mason N. Rouches , Benjamin B. Machta

Gene activation in eukaryotes involves the concerted action of histone tail modifiers, chromatin remodellers and transcription factors, whose precise coordination is currently unknown. We demonstrate that the experimentally observed…

Molecular Networks · Quantitative Biology 2008-04-28 Ralf Blossey , Helmut Schiessel

This paper presents a memory-optimized metadata-based data structure for implementation of binary chromosome in Genetic Algorithm. In GA different types of genotypes are used depending on the problem domain. Among these, binary genotype is…

Neural and Evolutionary Computing · Computer Science 2021-03-09 Avijit Basak

Previously reported [http://arxiv.org/abs/1506.06433] reprogramming of substrate specificity of H3K4Me3 epigenetic marks reading PHD domain of BPTF protein illustrates therapeutic potential of a new class of non-inhibitor small organic…

Biomolecules · Quantitative Biology 2015-06-24 Oleksandr Ya Yakovenko , Sreeja Leelakumari , Ganna Vashchenko , Albert Badiong , Steven J. M. Jones

The study of genomic variation has provided key insights into the functional role of mutations. Predominantly, studies have focused on single nucleotide variants (SNV), which are relatively easy to detect and can be described with rich…

Genomics · Quantitative Biology 2015-09-04 Daniel R. Zerbino , Tracy Ballinger , Benedict Paten , Glenn Hickey , David Haussler

The three dimensional structure of DNA in the nucleus (chromatin) plays an important role in many cellular processes. Recent experimental advances have led to high-throughput methods of capturing information about chromatin conformation on…

Genomics · Quantitative Biology 2015-11-05 Kevin Emmett , Benjamin Schweinhart , Raul Rabadan

Magnetic tweezers are used to study the mechanical response under torsion of single nucleosome arrays reconstituted on tandem repeats of 5S positioning sequences. Regular arrays are extremely resilient and can reversibly accommodate a large…

Chromosome organisation is increasingly recognised as an essential component of genome regulation, cell fate and cell health. Within the realm of transposable elements (TEs) however, the spatial information of how genomes are folded is…

Biological Physics · Physics 2019-11-01 Alexandros Bousios , Hans-Wilhelm Nuetzmann , Dorothy Buck , Davide Michieletto

Mixed communities of organisms are found in many environments (from the human gut to marine ecosystems) and can have profound impact on human health and the environment. Metagenomics studies the genomic material of such communities through…

Genomics · Quantitative Biology 2021-12-23 Hansheng Xue , Vijini Mallawaarachchi , Yujia Zhang , Vaibhav Rajan , Yu Lin

Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods,…

Machine Learning · Computer Science 2026-01-06 Yihan Zhu , Gang Liu , Eric Inae , Tengfei Luo , Meng Jiang

Motivated by recent experiments probing shape, size and dynamics of bacterial chromosomes in growing cells, we consider a polymer model consisting of a circular backbone to which side-loops are attached, confined to a cylindrical cell. Such…

Biological Physics · Physics 2019-05-13 Pinaki Swain , Bela M. Mulder , Debasish Chaudhuri

Dynamics of nucleosomes, the building blocks of the chromatin, has crucial effects on expression, replication and repair of genomes in eukaryotes. Beside constant movements of nucleosomes by thermal fluctuations, ATP-dependent chromatin…

Biomolecules · Quantitative Biology 2020-01-28 Fatemeh Khodabandeh , Hashem Fatemi , Farshid Mohammad-Rafiee1

We use Monte Carlo simulations to study attractive and excluded volume interactions between nucleosome core particles in 30 nm-chromatin fibers. The nucleosomes are treated as disk-like objects having an excluded volume and short range…

Subcellular Processes · Quantitative Biology 2009-11-10 Boris Mergell , Ralf Everaers , Helmut Schiessel
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