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Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

机器学习 · 计算机科学 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

Digitization of histology images and the advent of new computational methods, like deep learning, have helped the automatic grading of colorectal adenocarcinoma cancer (CRA). Present automated CRA grading methods, however, usually use tiny…

计算机视觉与模式识别 · 计算机科学 2021-07-13 Neda Zamanitajeddin , Mostafa Jahanifar , Nasir Rajpoot

Promoter is a short region of DNA which is responsible for initiating transcription of specific genes. Development of computational tools for automatic identification of promoters is in high demand. According to the difference of functions,…

What are proteins made from, as the working parts of the living cells protein machines? To answer this question, we need a technology to disassemble proteins onto elementary func-tional details and to prepare lumped description of such…

生物大分子 · 定量生物学 2007-11-05 A. N. Gorban , M. Kudryashev , T. Popova

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

生物大分子 · 定量生物学 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

Diagnosis of hematological malignancies depends on accurate identification of white blood cells in peripheral blood smears. Deep learning techniques are emerging as a viable solution to scale and optimize this process by automatic cell…

计算机视觉与模式识别 · 计算机科学 2024-08-01 Michael Deutges , Ario Sadafi , Nassir Navab , Carsten Marr

Chromosome classification is an important but difficult and tedious task in karyotyping. Previous methods only classify manually segmented single chromosome, which is far from clinical practice. In this work, we propose a detection based…

计算机视觉与模式识别 · 计算机科学 2021-08-18 Chunlong Luo , Tianqi Yu , Yufan Luo , Manqing Wang , Fuhai Yu , Yinhao Li , Chan Tian , Jie Qiao , Li Xiao

Protein inference plays a vital role in the proteomics study. Two major approaches could be used to handle the problem of protein inference; top-down and bottom-up. This paper presents a framework for protein inference, which uses hardware…

计算工程、金融与科学 · 计算机科学 2014-03-07 S. M. Vidanagamachchi , S. D. Dewasurendra , R. G. Ragel

Gene expression can be used to subtype breast cancer with improved prediction of risk of recurrence and treatment responsiveness over that obtained using routine immunohistochemistry (IHC). However, in the clinic, molecular profiling is…

计算机视觉与模式识别 · 计算机科学 2023-05-09 Raktim Kumar Mondol , Ewan K. A. Millar , Peter H Graham , Lois Browne , Arcot Sowmya , Erik Meijering

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…

定量方法 · 定量生物学 2008-11-24 Sushilee Raganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

We present a novel technique of sampling the configurations of helical proteins. Assuming knowledge of native secondary structure, we employ assembly rules gathered from a database of existing structures to enumerate the geometrically…

软凝聚态物质 · 物理学 2009-09-25 Boris Fain , Michael Levitt

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

生物大分子 · 定量生物学 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

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…

定量方法 · 定量生物学 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Genome annotation is essential for understanding the functional elements within genomes. While automated methods are indispensable for processing large-scale genomic data, they often face challenges in accurately predicting gene structures…

基因组学 · 定量生物学 2025-04-01 Xiaomei Li , Alex Whan , Meredith McNeil , David Starns , Jessica Irons , Samuel C. Andrew , Rad Suchecki

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

生物大分子 · 定量生物学 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

Proteins are essential for maintaining life. For example, knowing the structure of a protein, cell regulatory mechanisms of organisms can be modeled, supporting the development of disease treatments or the understanding of relationships…

生物大分子 · 定量生物学 2019-01-07 Daniel Bonetti , Alexandre Delbem , Dorival Leão , Jochen Einbeck

Membrane Proteins (MPs) account for around 15-39% of the human proteome and assume a critical role in a vast set of cellular and physiological mechanisms, including molecular transport, nutrient uptake, toxin and waste product clearance,…

Algorithms developed to solve many-body quantum problems, like tensor networks, can turn into powerful quantum-inspired tools to tackle problems in the classical domain. In this work, we focus on matrix product operators, a prominent…

统计力学 · 物理学 2024-11-27 Heitor P. Casagrande , Bo Xing , William J. Munro , Chu Guo , Dario Poletti

Motivation: With the development of third-generation sequencing technologies, people are able to obtain DNA sequences with lengths from 10s to 100s of kb. These long reads allow protein domain annotation without assembly, thus can produce…

基因组学 · 定量生物学 2021-07-09 Du Nan , Jiayu Shang , Yanni Sun

We present a fully automated, anatomically guided deep learning pipeline for prostate cancer (PCa) risk stratification using routine MRI. The pipeline integrates three key components: an nnU-Net module for segmenting the prostate gland and…