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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…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

We propose a metric for the space of multiple sequence alignments that can be used to compare two alignments to each other. In the case where one of the alignments is a reference alignment, the resulting accuracy measure improves upon…

Quantitative Methods · Quantitative Biology 2011-11-09 Ariel S. Schwartz , Eugene W. Myers , Lior Pachter

A computational method is developed to work on an inverse equilibrium problem with an interest towards applications with protein folding. In general, we are given a set of equilibrium confgiurations and want to derive the most probable…

Biological Physics · Physics 2007-05-23 John P. Donohue

The way for performing multiple sequence alignment is based on the criterion of the maximum scored information content computed from a weight matrix, but it is possible to have two or more alignments to have the same highest score leading…

Quantitative Methods · Quantitative Biology 2014-03-03 Jian-Jun Shu , Kian Yan Yong , Weng Kong Chan

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

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

Intricate comparison between two given tertiary structures of proteins is as important as the comparison of their functions. Several algorithms have been devised to compute the similarity and dissimilarity among protein structures. But,…

Computational Geometry · Computer Science 2013-09-26 Ranjeet Kumar Rout , Pabitra Pal Choudhury , B. S. Daya Sagar , Sk. Sarif Hassan

This paper describes a new alignment algorithm for sequences that can be used for determination of deletions and substitutions. It provides several solutions out of which the best one can be chosen on the basis of minimization of gaps or…

Information Theory · Computer Science 2012-11-01 Sandeep Hosangadi , Subhash Kak

Multi-image alignment, bringing a group of images into common register, is an ubiquitous problem and the first step of many applications in a wide variety of domains. As a result, a great amount of effort is being invested in developing…

Image and Video Processing · Electrical Eng. & Systems 2018-02-12 Cecilia Aguerrebere , Mauricio Delbracio , Alberto Bartesaghi , Guillermo Sapiro

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

Sequences of nucleotides (for DNA and RNA) or amino acids (for proteins) are central objects in biology. Among the most important computational problems is that of sequence alignment, i.e. arranging sequences from different organisms in…

Quantitative Methods · Quantitative Biology 2020-12-08 Anna Paola Muntoni , Andrea Pagnani , Martin Weigt , Francesco Zamponi

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

It is challenging to align multi-exposed images due to large illumination variations, especially in presence of saturated regions. In this paper, a novel image alignment algorithm is proposed to cope with the multi-exposed images with…

Image and Video Processing · Electrical Eng. & Systems 2020-12-22 Jun Jiang , Zhengguo Li , Shoulie Xie , Shiqian Wu , Liangcai Zeng

Computational protein structure determination involves optimization in a problem space much too large to exhaustively search. Existing approaches include optimization algorithms such as gradient descent and simulated annealing, but these…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-04 Michael Bryson , Xijiang Miao , Homayoun Valafar

Sequence comparison and alignment has had an enormous impact on our understanding of evolution, biology, and disease. Comparison and alignment of biological networks will likely have a similar impact. Existing network alignments use…

Molecular Networks · Quantitative Biology 2009-10-08 Oleksii Kuchaiev , Tijana Milenkovic , Vesna Memisevic , Wayne Hayes , Natasa Przulj

Discovering patterns in networks of protein-protein interactions (PPIs) is a central problem in systems biology. Alignments between these networks aid functional understanding as they uncover important information, such as evolutionary…

Molecular Networks · Quantitative Biology 2014-11-04 Vladimir Gligorijević , Noël Malod-Dognin , Nataša Pržulj

Various methods have been developed to analyze the association between organisms and their genomic sequences. Among them, sequence alignment is the most frequently used for comparative analysis of biological genomes. However, the…

Quantitative Methods · Quantitative Biology 2020-10-27 Yong Joon Song , Dong Jin Ji , Hye In Seo , Gyu Bum Han , Dong Ho Cho

Many researches have been working on the protein folding problem from more than half century. Protein folding is indeed one of the major unsolved problems in science. In this work, we discuss a model for the simulation of protein…

Optimization and Control · Mathematics 2008-11-20 A. Mucherino , O. Seref , P. M. Pardalos