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Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) is a gene editing technology that has revolutionized the fields of biology and medicine. However, one of the challenges of using CRISPR is predicting the on-target efficacy…

Machine Learning · Computer Science 2024-03-06 Mohammad Rostami , Amin Ghariyazi , Hamed Dashti , Mohammad Hossein Rohban , Hamid R. Rabiee

Accurate prediction of RNA three-dimensional (3D) structure remains an unsolved challenge. Determining RNA 3D structures is crucial for understanding their functions and informing RNA-targeting drug development and synthetic biology design.…

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

Analyses of targeted genomic sequencing data from next-generation-sequencing (NGS) technologies typically involves mapping reads to a reference sequence or clustering reads. For a number of species a reference genome is not available so the…

Genomics · Quantitative Biology 2016-02-16 Raunaq Malhotra , Daniel Elleder , Le Bao , David R Hunter , Raj Acharya , Mary Poss

The interaction between proteins and nucleic acids is crucial for processes that sustain cellular function, including DNA maintenance and the regulation of gene expression and translation. Amino acid mutations in protein-nucleic acid…

Biomolecules · Quantitative Biology 2025-12-01 Somnath Mondal , Tinkal Mondal , Soumajit Pramanik , Rukmankesh Mehra

Protein structures represent the key to deciphering biological functions. The more detailed form of similarity among these proteins is sometimes overlooked by the conventional structural comparison methods. In contrast, further advanced…

Machine Learning · Computer Science 2026-01-21 Poorya Khajouie , Titli Sarkar , Krishna Rauniyar , Li Chen , Wu Xu , Vijay Raghavan

There are two major approaches for sequence labeling. One is the probabilistic gradient-based methods such as conditional random fields (CRF) and neural networks (e.g., RNN), which have high accuracy but drawbacks: slow training, and no…

Machine Learning · Computer Science 2018-11-20 Xu Sun , Shuming Ma , Yi Zhang , Xuancheng Ren

Probabilistic programming is the idea of writing models from statistics and machine learning using program notations and reasoning about these models using generic inference engines. Recently its combination with deep learning has been…

Programming Languages · Computer Science 2019-11-19 Wonyeol Lee , Hangyeol Yu , Xavier Rival , Hongseok Yang

Simulated nucleotide sequences are widely used in theoretical and empirical molecular evolution studies. Conventional simulators generally use fixed parameter time-homogeneous Markov model for sequence evolution. In this work, we use the…

Populations and Evolution · Quantitative Biology 2009-12-14 Sheng Guo , Li-San Wang , Junhyong Kim

In the rapidly evolving domain of next generation sequencing and bioinformatics analysis, data generation is one aspect that is increasing at a concomitant rate. The burden associated with processing large amounts of sequencing data has…

Genomics · Quantitative Biology 2015-03-11 Matthew J. Wade , Thomas P. Curtis , Russell J. Davenport

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

It is the first step for understanding how RNA structure folds from base sequences that to know how its secondary structure is formed. Traditional energy-based algorithms are short of precision, particularly for non-nested sequences, while…

Quantum Physics · Physics 2023-05-18 Ji Jiang , Qipeng Yan , Ye Li , Min Lu , Ziwei Cui , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Given a random RNA secondary structure, $S$, we study RNA sequences having fixed ratios of nuclotides that are compatible with $S$. We perform this analysis for RNA secondary structures subject to various base pairing rules and minimum arc-…

Combinatorics · Mathematics 2016-03-14 Christopher L. Barrett , Thomas J. X. Li , Christian M. Reidys

The statistical mechanics of heteropolymer structure formation is studied in the context of RNA secondary structures. A designed RNA sequence biased energetically towards a particular native structure (a hairpin) is used to study the…

Statistical Mechanics · Physics 2009-10-31 R. Bundschuh , T. Hwa

Accurately determining a change in protein binding affinity upon mutations is important for the discovery and design of novel therapeutics and to assist mutagenesis studies. Determination of change in binding affinity upon mutations…

Biomolecules · Quantitative Biology 2021-09-01 Wajid Arshad Abbasi , Syed Ali Abbas , Saiqa Andleeb

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP) -- the problem of identifying the stable crystal structures that will form from a given molecule based only on its molecular composition. Our…

Materials Science · Physics 2023-12-12 Amit Kadan , Kevin Ryczko , Andrew Wildman , Rodrigo Wang , Adrian Roitberg , Takeshi Yamazaki

No existing algorithm can start with arbitrary RNA sequences and return the precise, three-dimensional structures that ensures their biological function. This chapter outlines current algorithms for automated RNA structure prediction…

Biomolecules · Quantitative Biology 2011-03-17 Kyle Beauchamp , Parin Sripakdeevong , Rhiju Das

Nucleic acid sequence design via codon optimization is a fundamental task with applications across synthetic biology, mRNA therapeutics, and vaccine design. Given a target protein, it is a major open challenge to navigate the…

Quantitative Methods · Quantitative Biology 2026-04-22 Mark Fornace , Christina Wuyan Wang , Michael Lindsey

Protein-nucleic acid interactions play a very important role in a variety of biological activities. Accurate identification of nucleic acid-binding residues is a critical step in understanding the interaction mechanisms. Although many…

Quantitative Methods · Quantitative Biology 2024-01-23 Wenwu Zeng , Dafeng Lv , Wenjuan Liu , Shaoliang Peng

It is well known that correlations in microarray data represent a serious nuisance deteriorating the performance of gene selection procedures. This paper is intended to demonstrate that the correlation structure of microarray data provides…

Applications · Statistics 2007-12-18 Lev Klebanov , Andrei Yakovlev