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We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Overweight and obesity have emerged as widespread societal challenges, frequently linked to unhealthy eating patterns. A promising approach to enhance dietary monitoring in everyday life involves automated detection of food intake gestures.…

Computer Vision and Pattern Recognition · Computer Science 2025-04-16 Chunzhuo Wang , Zhewen Xue , T. Sunil Kumar , Guido Camps , Hans Hallez , Bart Vanrumste

A new method for the Automated Protein Structure Analysis (APSA) is derived, which simplifies the protein backbone to a smooth curve in 3-dimensional space. For the purpose of obtaining this smooth line each amino acid is represented by its…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Raganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

The growth of high-composition GeSn films of the future will likely be guided via algorithms. In this study we show how a logarithmic-based algorithm can be used to obtain high-quality GeSn compositions up to 16 % on GaAs (001) substrates…

Non-coding RNA structure and function are essential to understanding various biological processes, such as cell signaling, gene expression, and post-transcriptional regulations. These are all among the core problems in the RNA field. With…

Quantitative Methods · Quantitative Biology 2022-08-09 Jiayang Chen , Zhihang Hu , Siqi Sun , Qingxiong Tan , Yixuan Wang , Qinze Yu , Licheng Zong , Liang Hong , Jin Xiao , Tao Shen , Irwin King , Yu Li

We present an analysis of the current methods of approximate determination of the gluon density $G(x,Q^2)$ at low-$x$ from the scaling violations of the proton structure function $F_2(x,Q^2)$. The gluon density is obtained from DGLAP…

High Energy Physics - Phenomenology · Physics 2014-11-17 M. B. Gay Ducati , Victor P. B. Gonçalves

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

In computational biology, biological entities such as genes or proteins are usually annotated with terms extracted from Gene Ontology (GO). The functional similarity among terms of an ontology is evaluated by using Semantic Similarity…

Computational Engineering, Finance, and Science · Computer Science 2014-12-24 Mario Cannataro , Pietro Hiram Guzzi , Marianna Milano , Pierangelo Veltri

In this paper, we introduce the software suite, Hermes, which provides fast, novel algorithms for RNA secondary structure kinetics. Using the fast Fourier transform to efficiently compute the Boltzmann probability that a secondary structure…

Biomolecules · Quantitative Biology 2016-10-31 Evan Senter , Peter Clote

Data-driven automatic approaches have demonstrated their great potential in resolving various clinical diagnostic dilemmas in neuro-oncology, especially with the help of standard anatomic and advanced molecular MR images. However, data…

Image and Video Processing · Electrical Eng. & Systems 2020-08-10 Pengfei Guo , Puyang Wang , Rajeev Yasarla , Jinyuan Zhou , Vishal M. Patel , Shanshan Jiang

The study of protein interactions has generated great interest in the food industry. Therefore, research on new supramolecular structures shows promise. Supramolecular structures of the whey proteins {\alpha}-lactalbumin and…

Saccharomyces cerevisiae is increasingly recognised as a key source for single-cell protein (SCP) production, a rising solution to global protein-supply challenges. This study presents a computational framework combining the Yeast9…

Machine Learning · Computer Science 2026-05-12 Neha K. Nair , Aaron D'Souza

Novel numerical techniques, validated by an analysis of barnase and chymotrypsin inhibitor, are used to elucidate the paramount role played by the geometry of the protein backbone in steering the folding to the correct native state. It is…

Statistical Mechanics · Physics 2009-10-31 Cristian Micheletti , Jayanth R. Banavar , Amos Maritan , Flavio Seno

The spatial organization of chromatin within the nucleus plays a crucial role in gene expression and genome function. However, the quantitative relationship between this organization and nuclear biochemical processes remains under debate.…

Quantitative Methods · Quantitative Biology 2025-09-12 Alex Chen Yi Zhang , Angelo Rosa , Guido Sanguinetti

We present GenAnalysis, an implicit shape generation framework that allows joint analysis of man-made shapes, including shape matching and joint shape segmentation. The key idea is to enforce an as-affine-as-possible (AAAP) deformation…

Graphics · Computer Science 2025-05-27 Yuezhi Yang , Haitao Yang , Kiyohiro Nakayama , Xiangru Huang , Leonidas Guibas , Qixing Huang

Genome sequence analysis has enabled significant advancements in medical and scientific areas such as personalized medicine, outbreak tracing, and the understanding of evolution. Unfortunately, it is currently bottlenecked by the…

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs):…

Quantitative Methods · Quantitative Biology 2026-03-03 Michael Sun , Weize Yuan , Gang Liu , Wojciech Matusik , Marinka Zitnik

Simple coarse-grained models, such as the Gaussian Network Model, have been shown to capture some of the features of equilibrium protein dynamics. We extend this model by using atomic contacts to define residue interactions and introducing…

Biomolecules · Quantitative Biology 2009-11-13 Dmitry A. Kondrashov , Qiang Cui , George N. Phillips

Protein nanoparticles play pivotal roles in many areas of bionanotechnology, including drug delivery, vaccination and diagnostics. These technologies require control over the distinct particle morphologies that protein nanocontainers can…

Quantitative Methods · Quantitative Biology 2023-09-28 Farzad Fatehi , Reidun Twarock