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Recent developments in next generation sequencing technology have led to the creation of extensive, open-source protein databases consisting of hundreds of millions of sequences. To render these sequences applicable in biomedical…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Protein structure prediction remains to be an open problem in bioinformatics. There are two main categories of methods for protein structure prediction: Free Modeling (FM) and Template Based Modeling (TBM). Protein threading, belonging to…

Biomolecules · Quantitative Biology 2015-09-14 Haicang Zhang , Mingfu Shao , Chao Wang , Jianwei Zhu , Wei-Mou Zheng , Dongbo Bu

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories.…

Biomolecules · Quantitative Biology 2024-02-06 Shreyas V , Swati Agarwal

Identifying novel functional protein structures is at the heart of molecular engineering and molecular biology, requiring an often computationally exhaustive search. We introduce the use of a Deep Convolutional Generative Adversarial…

Biomolecules · Quantitative Biology 2021-04-20 Ethan Moyer , Jeff Winchell , Isamu Isozaki , Yigit Alparslan , Mali Halac , Edward Kim

We show how to localize and quantify the functional evolutionary constraints on natural proteins. The method compares the perturbations caused by local sequence variants to the energetics of the protein folding process and to the…

Biomolecules · Quantitative Biology 2025-08-12 Ezequiel A. Galpern , Carlos Bueno , Ignacio E. Sánchez , Peter G. Wolynes , Diego U. Ferreiro

We present analysis of a novel tool for protein secondary structure prediction using the recently-investigated Neural Machine Translation framework. The tool provides a fast and accurate folding prediction based on primary structure with…

Quantitative Methods · Quantitative Biology 2021-05-11 Evan Weissburg , Ian Bulovic

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Protein-DNA interactions are vital for many processes in living cells, especially transcriptional regulation and DNA modification. To further our understanding of these important processes on the microscopic level, it is necessary that…

Biomolecules · Quantitative Biology 2007-05-23 Jason E Donald , William W Chen , Eugene I Shakhnovich

We present a theoretical model of facilitated diffusion of proteins in the cell nucleus. This model, which takes into account the successive binding/unbinding events of proteins to DNA, relies on a fractal description of the chromatin which…

Statistical Mechanics · Physics 2015-05-19 O. Benichou , C. Chevalier , B. Meyer , R. Voituriez

Cells integrate signals and make decisions about their future state in short amounts of time. A lot of theoretical effort has gone into asking how to best design gene regulatory circuits that fulfill a given function, yet little is known…

Molecular Networks · Quantitative Biology 2025-10-08 Tarek Tohme , Massimo Vergassola , Thierry Mora , Aleksandra M. Walczak

Noise in gene expression, either due to inherent stochasticity or to varying inter- and intracellular environment, can generate significant cell-to-cell variability of protein levels in clonal populations. We present a theoretical…

Other Quantitative Biology · Quantitative Biology 2010-04-08 Julia Rausenberger , Christian Fleck , Jens Timmer , Markus Kollmann

Multi-sample microarray experiments have become a standard experimental method for studying biological systems. A frequent goal in such studies is to unravel the regulatory relationships between genes. During the last few years, regression…

Applications · Statistics 2008-12-18 Nancy R. Zhang , Mary C. Wildermuth , Terence P. Speed

The Fast Fourier Transform (FFT) correlation approach to protein-protein docking can evaluate the energies of billions of docked conformations on a grid if the energy is described in the form of a correlation function. Here, this…

Biomolecules · Quantitative Biology 2007-05-23 D. Kozakov , R. Brenke , S. Comeau , S. Vajda

There is now a certain consensus that Transcription Factors (TFs) reach their target sites, where they regulate gene transcription, via a mechanism dubbed facilitated diffusion (FD). In FD, the TF cycles between events of 3D-diffusion in…

Biomolecules · Quantitative Biology 2015-06-18 Carlo Guardiani , Massimo Cencini , Fabio Cecconi

The interaction between proteins and DNA is a key driving force in a significant number of biological processes such as transcriptional regulation, repair, recombination, splicing, and DNA modification. The identification of DNA-binding…

Quantitative Methods · Quantitative Biology 2017-05-10 Hamid Reza Hassanzadeh , Pushkar Kolhe , Charles L. Isbell , May D. Wang

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Machine Learning · Computer Science 2007-05-23 Michael Terribilini , Jae-Hyung Lee , Changhui Yan , Robert L. Jernigan , Susan Carpenter , Vasant Honavar , Drena Dobbs

Thanks to rapidly evolving sequencing techniques, the amount of genomic data at our disposal is growing increasingly large. Determining the gene structure is a fundamental requirement to effectively interpret gene function and regulation.…

Genomics · Quantitative Biology 2017-11-28 Jasper Zuallaert , Mijung Kim , Yvan Saeys , Wesley De Neve

Genetic pathways usually encode molecular mechanisms that can inform targeted interventions. It is often challenging for existing machine learning approaches to jointly model genetic pathways (higher-order features) and variants (atomic…

Quantitative Methods · Quantitative Biology 2021-11-19 Yuan Luo , Chengsheng Mao

Kernel methods form a powerful, versatile, and theoretically-grounded unifying framework to solve nonlinear problems in signal processing and machine learning. The standard approach relies on the kernel trick to perform pairwise evaluations…

Machine Learning · Computer Science 2019-12-11 Kan Li , Jose C. Principe

Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer…

Machine Learning · Computer Science 2023-10-09 Chen Dun , Qiutai Pan , Shikai Jin , Ria Stevens , Mitchell D. Miller , George N. Phillips, , Anastasios Kyrillidis
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