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A cascading system of hierarchical, artificial neural networks (named PRED-CLASS) is presented for the generalized classification of proteins into four distinct classes-transmembrane, fibrous, globular, and mixed-from information solely…

Quantitative Methods · Quantitative Biology 2009-02-19 Claude Pasquier , Vasilis Promponas , Stavros Hamodrakas

Multiple Sequences Alignment (MSA) of biological sequences is a fundamental problem in computational biology due to its critical significance in wide ranging applications including haplotype reconstruction, sequence homology, phylogenetic…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-05-13 Fahad Saeed , Ashfaq Khokhar

Motivation: A major challenge in the development of machine learning based methods in computational biology is that data may not be accurately labeled due to the time and resources required for experimentally annotating properties of…

Machine Learning · Computer Science 2017-11-15 Amina Asif , Wajid Arshad Abbasi , Farzeen Munir , Asa Ben-Hur , Fayyaz ul Amir Afsar Minhas

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

Computational Engineering, Finance, and Science · Computer Science 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar

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…

Biomolecules · Quantitative Biology 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

Two proteins are homologous if they have a common evolutionary origin, and the binary classification problem is to identify proteins in a candidate set that are homologous to a particular native protein. The feature (explanatory) variables…

Machine Learning · Statistics 2019-09-11 Jabed H Tomal , William J Welch , Ruben H Zamar

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

The unsupervised anomaly localization task faces the challenge of missing anomaly sample training, detecting multiple types of anomalies, and dealing with the proportion of the area of multiple anomalies. A separate teacher-student feature…

Computer Vision and Pattern Recognition · Computer Science 2022-12-14 Chao Hu , Shengxin Lai

The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction,…

Quantitative Methods · Quantitative Biology 2023-06-06 Le Zhang , Jiayang Chen , Tao Shen , Yu Li , Siqi Sun

Analyzing the relation between a set of biological sequences can help to identify and understand the evolutionary history of these sequences and the functional relations among them. Multiple Sequence Alignment (MSA) is the main obstacle to…

Quantitative Methods · Quantitative Biology 2017-08-07 Sara Shehab , Sameh Shohdy , Arabi E. Keshk

We develop a stochastic algorithm for independent component analysis that incorporates multi-trial supervision, which is available in many scientific contexts. The method blends a proximal gradient-type algorithm in the space of invertible…

Machine Learning · Computer Science 2025-08-29 Ronak Mehta , Mateus Piovezan Otto , Noah Stanis , Azadeh Yazdan-Shahmorad , Zaid Harchaoui

Proteins typically exist in complexes, interacting with other proteins or biomolecules to perform their specific biological roles. Research on single-chain protein modeling has been extensively and deeply explored, with advancements seen in…

Machine Learning · Computer Science 2025-09-09 Ruizhe Chen , Dongyu Xue , Xiangxin Zhou , Zaixiang Zheng , Xiangxiang Zeng , Quanquan Gu

Evolutionary modeling applications are the best way to provide full information to support in-depth understanding of evaluation of organisms. These applications mainly depend on identifying the evolutionary history of existing organisms and…

Computational Engineering, Finance, and Science · Computer Science 2018-06-01 Sara Shehab , Sameh Abdulah , Arabi E. Keshk

Structure and function in nanoscale atomistic assemblies are tightly coupled, and every atom with its specific position and even every electron will have a decisive effect on the electronic structure, and hence, on the molecular properties.…

Chemical Physics · Physics 2024-02-21 Katja-Sophia Csizi , Markus Reiher

We theorize that phylogenetic profiles provide a quantitative method that can relate the structural and functional properties of proteins, as well as their evolutionary relationships. A key feature of phylogenetic profiles is the…

Quantitative Methods · Quantitative Biology 2009-11-04 Yoojin Hong , Jaewoo Kang , Dongwon Lee , Randen L. Patterson , Damian B. van Rossum

Classification is one of the most important tasks in Machine Learning (ML) and with recent advancements in artificial intelligence (AI) it is important to find efficient ways to implement it. Generally, the choice of classification…

Machine Learning · Computer Science 2023-12-27 Anuja Dixit , Shreya Byreddy , Guanqun Song , Ting Zhu

Protein function depends on both protein structure and amino acid (aa) sequence. Here we show that modular features of both structure and function can be quantified from the aa sequence alone for the amyloid 770 aa precursor protein A4.…

Biomolecules · Quantitative Biology 2014-03-06 J. C. Phillips

The conformations available to polypeptides are determined by the interatomic forces acting on the peptide units, whereby backbone torsion angles are restricted as described by the Ramachandran plot. Although typical proteins are composed…

Biomolecules · Quantitative Biology 2013-02-11 Anil Korkut , Wayne A Hendrickson

As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data driven predictions without the need for…

Quantitative Methods · Quantitative Biology 2023-03-30 Myeonghun Lee , Kyoungmin Min
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