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Computational protein design is experiencing a transformation driven by AI/ML. However, the range of potential protein sequences and structures is astronomically vast, even for moderately sized proteins. Hence, achieving convergence between…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-09 Aymen Alsaadi , Jonathan Ash , Mikhail Titov , Matteo Turilli , Andre Merzky , Shantenu Jha , Sagar Khare

A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity and a formidable challenge. In fact, large amounts of data…

Soft Condensed Matter · Physics 2022-05-18 Margherita Mele , Roberto Covino , Raffaello Potestio

Many types of peripheral and transmembrane proteins can sense and generate membrane curvature. Laterally isotropic proteins and crescent proteins with twofold rotational symmetry, such as Bin/Amphiphysin/Rvs superfamily proteins, have been…

Soft Condensed Matter · Physics 2024-02-12 Hiroshi Noguchi

In cancer research, high-throughput profiling has been extensively conducted. In recent studies, the integrative analysis of data on multiple cancer patient groups/subgroups has been conducted. Such analysis has the potential to reveal the…

Methodology · Statistics 2022-12-01 Yifan Sun , Zhengyang Sun , Yu Jiang , Yang Li , Shuangge Ma

Due to the advancements in technology number of entries in the structural database of proteins are increasing day by day. Methods for retrieving protein tertiary structures from this large database is the key to comparative analysis of…

Computer Vision and Pattern Recognition · Computer Science 2014-09-03 Rezaul Karim , Mohd. Momin Al Aziz , Swakkhar Shatabda , M. Sohel Rahman , Md. Abul Kashem Mia , Farhana Zaman , Salman Rakin

In recent years, cancer genome sequencing and other high-throughput studies of cancer genomes have generated many notable discoveries. In this review, Novel genomic alteration mechanisms, such as chromothripsis (chromosomal crisis) and…

Genomics · Quantitative Biology 2014-09-12 Edwin Wang

Cancer results from genetic alterations that disturb the normal cooperative behavior of cells. Recent high-throughput genomic studies of cancer cells have shown that the mutational landscape of cancer is complex and that individual cancers…

Populations and Evolution · Quantitative Biology 2011-11-10 Niko Beerenwinkel , Tibor Antal , David Dingli , Arne Traulsen , Kenneth W. Kinzler , Victor E. Velculescu , Bert Vogelstein , Martin A. Nowak

Motivation: Uncovering the genomic causes of cancer, known as cancer driver genes, is a fundamental task in biomedical research. Cancer driver genes drive the development and progression of cancer, thus identifying cancer driver genes and…

Genomics · Quantitative Biology 2020-07-03 Vu Viet Hoang Pham , Lin Liu , Cameron Bracken , Gregory Goodall , Jiuyong Li , Thuc Duy Le

Cancer complexome comprises a heterogeneous and multifactorial milieu that varies in cytology, physiology, signaling mechanisms and response to therapy. The combined framework of network theory and spectral graph theory along with the…

Molecular Networks · Quantitative Biology 2017-03-03 Aparna Rai , Priodyuti Pradhan , Jyothi Nagraj , K. Lohitesh , Rajdeep Chowdhury , Sarika Jalan

Several modern genomic technologies, such as DNA-Methylation arrays, measure spatially registered probes that number in the hundreds of thousands across multiplechromosomes. The measured probes are by themselves less interesting…

Applications · Statistics 2016-11-16 John Nagorski , Genevera I. Allen

Although somatic mutations are the main contributor to cancer, underlying germline alterations may increase the risk of cancer, mold the somatic alteration landscape and cooperate with acquired mutations to promote the tumor onset and/or…

Quantitative Methods · Quantitative Biology 2016-11-01 Jorge Fernandez-de-Cossio , Yasser Perera

PROTACs are a promising therapeutic modality that harnesses the cell's built-in degradation machinery to degrade specific proteins. Despite their potential, developing new PROTACs is challenging and requires significant domain expertise,…

Quantitative Methods · Quantitative Biology 2024-09-30 Stefano Ribes , Eva Nittinger , Christian Tyrchan , Rocío Mercado

Circular permutation connects the N and C termini of a protein and concurrently cleaves elsewhere in the chain, providing an important mechanism for generating novel protein fold and functions. However, their in genomes is unknown because…

Biomolecules · Quantitative Biology 2016-11-17 T. Andrew Binkowski , Bhaskar DasGupta , Jie Liang

Background. A large number of algorithms is being developed to reconstruct evolutionary models of individual tumours from genome sequencing data. Most methods can analyze multiple samples collected either through bulk multi-region…

Genomics · Quantitative Biology 2019-03-26 Daniele Ramazzotti , Alex Graudenzi , Luca De Sano , Marco Antoniotti , Giulio Caravagna

Aligning multiple protein structures can yield valuable information about structural similarities among related proteins, as well as provide insight into evolutionary relationships between proteins in a family. We have developed an…

Biomolecules · Quantitative Biology 2019-11-07 Paul Shealy , Homayoun Valafar

The idea that structural disorder might be a novel mechanism of protein interaction is widespread in the Literature, although the number of statistically significant structural studies supporting this is surprisingly low. At variance with…

Disordered Systems and Neural Networks · Physics 2021-03-01 Beatriz Seoane , Alessandra Carbone

Precision medicine is a paradigm shift in healthcare relying heavily on genomics data. However, the complexity of biological interactions, the large number of genes as well as the lack of comparisons on the analysis of data, remain a…

Human body consists of lot of cells, each cell consist of DeOxaRibo Nucleic Acid (DNA). Identifying the genes from the DNA sequences is a very difficult task. But identifying the coding regions is more complex task compared to the former.…

Computational Engineering, Finance, and Science · Computer Science 2014-01-22 Pokkuluri Kiran Sree , Inampudi Ramesh Babu , SSSN Usha Devi N

Breast cancer is one of the factors that cause the increase of mortality of women. The most widely used method for diagnosing this geological disease i.e. breast cancer is the ultrasound scan. Several key features such as the smoothness and…

Artificial Intelligence · Computer Science 2021-08-10 Mohamed Mejri , Aymen Mejri , Oumayma Mejri , Chiraz Fekih

The correct prediction of protein secondary structures is one of the key issues in predicting the correct protein folded shape, which is used for determining gene function. Existing methods make use of amino acids properties as indices to…

Quantitative Methods · Quantitative Biology 2017-05-01 Jian-Jun Shu , Kian-Yan Yong