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Biological processes, functions, and properties are intricately linked to the ensemble of protein conformations, rather than being solely determined by a single stable conformation. In this study, we have developed P2DFlow, a generative…

Biological Physics · Physics 2025-03-05 Yaowei Jin , Qi Huang , Ziyang Song , Mingyue Zheng , Dan Teng , Qian Shi

Implicit fields have recently shown increasing success in representing and learning 3D shapes accurately. Signed distance fields and occupancy fields are decades old and still the preferred representations, both with well-studied…

Computer Vision and Pattern Recognition · Computer Science 2023-04-10 Edoardo Mello Rella , Ajad Chhatkuli , Ender Konukoglu , Luc Van Gool

Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bind cohesively with specific protein pockets. However, these…

Biomolecules · Quantitative Biology 2023-04-26 Fang Sun , Zhihao Zhan , Hongyu Guo , Ming Zhang , Jian Tang

Accurate collection of plant phenotyping is critical to optimising sustainable farming practices in precision agriculture. Traditional phenotyping in controlled laboratory environments, while valuable, falls short in understanding plant…

Computer Vision and Pattern Recognition · Computer Science 2024-03-29 Junhong Zhao , Wei Ying , Yaoqiang Pan , Zhenfeng Yi , Chao Chen , Kewei Hu , Hanwen Kang

We examine the evolution of expression patterns and the organization of genetic information in populations of self-replicating digital organisms. Seeding the experiments with a linearly expressed ancestor, we witness the development of…

adap-org · Physics 2007-05-23 Charles Ofria , Christoph Adami

The linking genotype to phenotype is the fundamental aim of modern genetics. We focus on study of links between gene expression data and phenotype data through integrative analysis. We propose three approaches. 1) The inherent complexity of…

Quantitative Methods · Quantitative Biology 2015-06-30 Min Xu

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

The polygon mesh representation of 3D data exhibits great flexibility, fast rendering speed, and storage efficiency, which is widely preferred in various applications. However, given its unstructured graph representation, the direct…

Computer Vision and Pattern Recognition · Computer Science 2024-06-19 Sijin Chen , Xin Chen , Anqi Pang , Xianfang Zeng , Wei Cheng , Yijun Fu , Fukun Yin , Yanru Wang , Zhibin Wang , Chi Zhang , Jingyi Yu , Gang Yu , Bin Fu , Tao Chen

By integrating heterogeneous functional genomic datasets, we have developed a new framework for detecting combinatorial control of gene expression, which includes estimating transcription factor activities using a singular value…

Quantitative Methods · Quantitative Biology 2010-10-07 Junbai Wang

During embryonic development, differentiating cells respond via gene expression to positional cues from morphogen gradients. While gene expression is often highly erratic, embryonic development is precise. We show by theory and simulations…

Cell Behavior · Quantitative Biology 2015-05-13 Thorsten Erdmann , Martin Howard , Pieter Rein ten Wolde

Gene expression data represents a unique challenge in predictive model building, because of the small number of samples $(n)$ compared to the huge amount of features $(p)$. This "$n<<p$" property has hampered application of deep learning…

Machine Learning · Statistics 2018-02-13 Yunchuan Kong , Tianwei Yu

Grammar-Guided Genetic Programming (GGGP) employs a variety of insights from evolutionary theory to autonomously design solutions for a given task. Recent insights from evolutionary biology can lead to further improvements in GGGP…

Neural and Evolutionary Computing · Computer Science 2023-07-13 Stefano Tiso , Pedro Carvalho , Nuno Lourenço , Penousal Machado

Spatial transcriptomics (ST) has emerged as an advanced technology that provides spatial context to gene expression. Recently, deep learning-based methods have shown the capability to predict gene expression from WSI data using ST data.…

Machine Learning · Computer Science 2024-12-10 Mingcheng Qu , Yuncong Wu , Donglin Di , Anyang Su , Tonghua Su , Yang Song , Lei Fan

Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular biology, where an important goal is to determine…

Biomolecules · Quantitative Biology 2021-06-17 Xiaojie Guo , Yuanqi Du , Sivani Tadepalli , Liang Zhao , Amarda Shehu

The neural radiance field (NERF) advocates learning the continuous representation of 3D geometry through a multilayer perceptron (MLP). By integrating this into a generative model, the generative neural radiance field (GRAF) is capable of…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Jian Liu , Zhen Yu

We give a description of cell diffusion in a soft tissue, paying special attention to the coupling of force, matter, and microforce balance laws through a suitable dissipation principle. To this end, we cast our framework into a multi-level…

Soft Condensed Matter · Physics 2024-12-19 Amabile Tatone , Filippo Recrosi , Giuseppe Tomassetti

The employment of stochastic geometry for the analysis and design of ultra dense networks (UDNs) has provided significant insights into network densification. In addition to the characterization of the network performance and behavior,…

Signal Processing · Electrical Eng. & Systems 2024-12-04 Alexis I. Aravanis , Thanh Tu Lam , Olga Muñoz , Antonio Pascual-Iserte , Marco Di Renzo

We present a novel approach for imaging the beating embryonic heart, based on combining two independent imaging channels to capture the full spatio-temporal information of the moving 3D structure. High-resolution, optically-sectioned image…

Quantitative Methods · Quantitative Biology 2020-11-04 Vikas Trivedi , Sara Madaan , Daniel B. Holland , Le A. Trinh , Scott E. Fraser , Thai V. Truong

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

Artificial Intelligence · Computer Science 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

Using the Helmholtz decomposition of the vector field of folding fluxes in a two-dimensional space of collective variables, a potential of the driving force for protein folding is introduced. The potential has two components. One component…

Biological Physics · Physics 2013-10-15 Sergei F. Chekmarev