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The notion of energy landscapes provides conceptual tools for understanding the complexities of protein folding and function. Energy Landscape Theory indicates that it is much easier to find sequences that satisfy the "Principle of Minimal…

Biomolecules · Quantitative Biology 2013-06-13 R. Gonzalo Parra , Rocío Espada , Ignacio E. Sánchez , Manfred J. Sippl , Diego U. Ferreiro

Understanding the structure of a protein complex is crucial indetermining its function. However, retrieving accurate 3D structures from microscopy images is highly challenging, particularly as many imaging modalities are two-dimensional.…

Quantitative Methods · Quantitative Biology 2021-10-18 Benjamin J. Blundell , Christian Sieben , Suliana Manley , Ed Rosten , QueeLim Ch'ng , Susan Cox

Upon a matrix representation of a binary bipartite network, via the permutation invariance, a coupling geometry is computed to approximate the minimum energy macrostate of a network's system. Such a macrostate is supposed to constitute the…

Applications · Statistics 2018-02-02 Jiahui Guan , Hsieh Fushing

High-resolution 3D point clouds are highly effective for detecting subtle structural anomalies in industrial inspection. However, their dense and irregular nature imposes significant challenges, including high computational cost,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-18 Zi Wang , Katsuya Hotta , Koichiro Kamide , Yawen Zou , Chao Zhang , Jun Yu

Clustering is a technique for the analysis of datasets obtained by empirical studies in several disciplines with a major application for biomedical research. Essentially, clustering algorithms are executed by machines aiming at finding…

Quantitative Methods · Quantitative Biology 2024-09-30 Diego Ulisse Pizzagalli , Santiago Fernandez Gonzalez , Rolf Krause

We can use a method called registration to integrate some point clouds that represent the shape of the real world. In this paper, we propose highly accurate and stable registration method. Our method detects keypoints from point clouds and…

Computer Vision and Pattern Recognition · Computer Science 2020-11-11 Masaki Yoshii , Ikuko Shimizu

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Learning robust feature matching between the template and search area is crucial for 3D Siamese tracking. The core of Siamese feature matching is how to assign high feature similarity on the corresponding points between the template and…

Computer Vision and Pattern Recognition · Computer Science 2022-12-06 Haobo Jiang , Kaihao Lan , Le Hui , Guangyu Li , Jin Xie , Jian Yang

Recently, cross-source point cloud registration from different sensors has become a significant research focus. However, traditional methods confront challenges due to the varying density and structure of cross-source point clouds. In order…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Yu Wang , Shuhui Bu , Lin Chen , Yifei Dong , Kun Li , Xuefeng Cao , Ke Li

In this paper, we introduce a novel method for comparing 3D point clouds, a critical task in various machine learning applications. By interpreting point clouds as samples from underlying probability density functions, the statistical…

Differential Geometry · Mathematics 2024-05-09 Amit Vishwakarma , KS Subrahamanian Moosath

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

Computational Physics · Physics 2020-04-01 Amit Singer , Fred J. Sigworth

Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of…

Quantitative Methods · Quantitative Biology 2025-06-26 Xinyu Yuan , Zichen Wang , Marcus Collins , Huzefa Rangwala

Feature descriptors of point clouds are used in several applications, such as registration and part segmentation of 3D point clouds. Learning discriminative representations of local geometric features is unquestionably the most important…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Seunghwan Jung , Yeong-Gil Shin , Minyoung Chung

The paper investigates the problem of fitting protein complexes into electron density maps. They are represented by high-resolution cryoEM density maps converted into overlapping matrices and partly show a structure of a complex. The…

Optimization and Control · Mathematics 2017-01-10 Roman Pogodin , Alexander Katrutsa , Sergei Grudinin

When applying automatic analysis of fluorescence or histopathological images of cells, it is necessary to partition, or de-clump, partially overlapping cell nuclei. In this work, I describe a method of partitioning partially overlapping…

Computer Vision and Pattern Recognition · Computer Science 2018-04-13 James Kapaldo

While several feature embedding models have been developed in the literature, comparisons of these embeddings have largely focused on their numerical performance in classification-related downstream applications. However, an interpretable…

Machine Learning · Computer Science 2025-08-19 Mohammad Jalali , Bahar Dibaei Nia , Farzan Farnia

We consider the point cloud registration problem, the task of finding a transformation between two point clouds that represent the same object but are expressed in different coordinate systems. Our approach is not based on a point-to-point…

Optimization and Control · Mathematics 2024-01-17 Florentin Goyens , Coralia Cartis , Stéphane Chrétien

Structural flexibility and/or dynamic interactions with other molecules is a critical aspect of protein function. CryoEM provides direct visualization of individual macromolecules sampling different conformational and compositional states.…

Biomolecules · Quantitative Biology 2021-08-04 Muyuan Chen , Steven Ludtke

Many clustering problems in computer vision and other contexts are also classification problems, where each cluster shares a meaningful label. Subspace clustering algorithms in particular are often applied to problems that fit this…

Machine Learning · Computer Science 2017-09-15 John Lipor , Laura Balzano

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

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