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Related papers: Fast, approximate kinetics of RNA folding

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Fully Homomorphic Encryption (FHE) promises the ability to compute over encrypted data without revealing sensitive contents. However, enabling high-frequency updates and statistical analysis in outsourced databases remains elusive due to…

Cryptography and Security · Computer Science 2026-04-28 Dongfang Zhao

Predicting protein secondary structures such as alpha helices, beta sheets, and coils from amino acid sequences is essential for understanding protein function. This work presents a transformer-based model that applies attention mechanisms…

Artificial Intelligence · Computer Science 2025-12-10 Manzi Kevin Maxime

RNAs self-interact through hydrogen-bond base-pairing between nucleotides and fold into specific, stable structures that substantially govern their biochemical behaviour. Experimental characterization of these structures remains difficult,…

Quantum Physics · Physics 2023-05-02 Tristan Zaborniak , Juan Giraldo , Hausi Müller , Hosna Jabbari , Ulrike Stege

Existing state-of-the-art methods that take a single RNA sequence and predict the corresponding RNA secondary-structure are thermodynamic methods. These predict the most stable RNA structure, but do not consider the process of structure…

Biomolecules · Quantitative Biology 2012-07-26 Jeff R. Proctor , Irmtraud M. Meyer

Understanding the base pairing of an RNA sequence provides insight into its molecular structure.By mining suboptimal sampling data, RNAprofiling 1.0 identifies the dominant helices in low-energy secondary structures as features, organizes…

Biomolecules · Quantitative Biology 2023-03-29 Forrest Hurley , Christine Heitsch

We investigated frictional effects on the folding rates of a human telomerase hairpin (hTR HP) and H-type pseudoknot from the Beet Western Yellow Virus (BWYV PK) using simulations of the Three Interaction Site (TIS) model for RNA. The heat…

Biomolecules · Quantitative Biology 2018-09-18 Naoto Hori , Natalia A. Denesyuk , D. Thirumalai

We consider six different secondary structures of proteins and construct two types of Go-type off-lattice models: with the steric constraints and without. The basic aminoacid-aminoacid potential is Lennard Jones for the native contacts and…

Statistical Mechanics · Physics 2009-10-31 Trinh Xuan Hoang , Marek Cieplak

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

We present a novel technique of sampling the configurations of helical proteins. Assuming knowledge of native secondary structure, we employ assembly rules gathered from a database of existing structures to enumerate the geometrically…

Soft Condensed Matter · Physics 2009-09-25 Boris Fain , Michael Levitt

Motivation: RNA thermometers (RNATs) are cis-regulatory ele- ments that change secondary structure upon temperature shift. Often involved in the regulation of heat shock, cold shock and virulence genes, RNATs constitute an interesting…

Computational RNA secondary structure prediction is rather well established. However, such prediction algorithms always depend on a large number of experimentally measured parameters. Here, we study how sensitive structure prediction…

Quantitative Methods · Quantitative Biology 2007-05-23 D. M. Layton , R. Bundschuh

Although RNAs play many cellular functions little is known about the dynamics and thermodynamics of these molecules. In principle, all-atom molecular dynamics simulations can investigate these issues, but with current computer facilities,…

Biomolecules · Quantitative Biology 2013-01-22 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

The determination of the folding mechanisms of proteins is critical to understand the topological change that can propagate Alzheimer and Creutzfeld-Jakobs diseases, among others. The computational community has paid considerable attention…

Biomolecules · Quantitative Biology 2007-05-23 Guanghong Wei , Normand Mousseau , Philippe Derreumaux

The application of Transformer-based large models has achieved numerous success in recent years. However, the exponential growth in the parameters of large models introduces formidable memory challenge for edge deployment. Prior works to…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-11 Xueyuan Han , Zinuo Cai , Yichu Zhang , Chongxin Fan , Junhan Liu , Ruhui Ma , Rajkumar Buyya

Several algorithms for RNA inverse folding have been used to design synthetic riboswitches, ribozymes and thermoswitches, whose activity has been experimentally validated. The RNAiFold software is unique among approaches for inverse folding…

Biomolecules · Quantitative Biology 2015-05-29 Juan Antonio Garcia-Martin , Ivan Dotu , Peter Clote

Characterizing the differential excision of mRNA is critical for understanding the functional complexity of a cell or tissue, from normal developmental processes to disease pathogenesis. Most transcript reconstruction methods infer…

Quantitative Methods · Quantitative Biology 2022-11-15 Marjan Hosseini , Devin McConnell , Derek Aguiar

RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…

Biomolecules · Quantitative Biology 2019-03-04 William D. Baez , Kay Jörg Wiese , Ralf Bundschuh

The problem of RNA secondary structure design (also called inverse folding) is the following: given a target secondary structure, one aims to create a sequence that folds into, or is compatible with, a given structure. In several practical…

Quantitative Methods · Quantitative Biology 2013-08-02 Yu Zhou , Yann Ponty , Stéphane Vialette , Jérôme Waldispühl , Yi Zhang , Alain Denise

We introduce Hermes, a general-purpose networking architecture that aims to improve service delivery over the Internet. Hermes delegates networking responsibilities from applications and services to proxies and is designed as a portable,…

Networking and Internet Architecture · Computer Science 2025-11-11 Behrooz Farkiani , Fan Liu , Ke Yang , John DeHart , Jyoti Parwatikar , Patrick Crowley

We introduce a Fourier-based fast algorithm for Gaussian process regression in low dimensions. It approximates a translationally-invariant covariance kernel by complex exponentials on an equispaced Cartesian frequency grid of $M$ nodes.…

Computation · Statistics 2023-05-19 Philip Greengard , Manas Rachh , Alex Barnett