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The search for high-affinity aptamers for targets such as proteins, small molecules, or cancer cells remains a formidable endeavor. Systematic Evolution of Ligands by EXponential Enrichment (SELEX) offers an iterative process to discover…

Biological Physics · Physics 2016-12-30 Fabian Spill , Zohar B. Weinstein , Atena Irani Shemirani , Nga Ho , Darash Desai , Muhammad H. Zaman

Feature selection is a crucial step in building machine learning models. This process is often achieved with accuracy as an objective, and can be cumbersome and computationally expensive for large-scale datasets. Several additional model…

Machine Learning · Computer Science 2024-03-15 Shubham Sharma , Sanghamitra Dutta , Emanuele Albini , Freddy Lecue , Daniele Magazzeni , Manuela Veloso

A DNA polymerase (DNAP) replicates a template DNA strand. It also exploits the template as the track for its own motor-like mechanical movement. In the polymerase mode it elongates the nascent DNA by one nucleotide in each step. But,…

Subcellular Processes · Quantitative Biology 2013-10-16 Ajeet K. Sharma , Debashish Chowdhury

Many models for the origin of life have focused on understanding how evolution can drive the refinement of a preexisting enzyme, such as the evolution of efficient replicase activity. Here we present a model for what was, arguably, an even…

Biomolecules · Quantitative Biology 2012-12-20 Sara Imari Walker , Martha A. Grover , Nicholas V. Hud

Kinetic proofreading is an error correction mechanism present in the processes of the central dogma and beyond, and typically requires the free energy of nucleotide hydrolysis for its operation. Though the molecular players of many…

Molecular Networks · Quantitative Biology 2020-05-28 Vahe Galstyan , Rob Phillips

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

Feature selection is one of the most challenging issues in machine learning, especially while working with high dimensional data. In this paper, we address the problem of feature selection and propose a new approach called Evolving Fast and…

Neural and Evolutionary Computing · Computer Science 2020-05-12 Uzay Cetin , Yunus Emre Gundogmus

In order to understand the nuclei which develop during the course of protein folding and unfolding, we examine phase segregation of a single heteropolymer chain which occurs in equilibrium. These segregated conformations are characterized…

Disordered Systems and Neural Networks · Physics 2009-10-31 Rose Du , Alexander Yu. Grosberg , Toyoichi Tanaka

The duration and fidelity of qubit readout is a critical factor for applications in quantum information processing as it limits the fidelity of algorithms which reuse qubits after measurement or apply feedback based on the measurement…

This paper presents a new, parallel implementation of clustering and demonstrates its utility in greatly speeding up the process of identifying homologous proteins. Clustering is a technique to reduce the number of comparison needed to find…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-29 Stuart Byma , Akash Dhasade , Adrian Altenhoff , Christophe Dessimoz , James R. Larus

A Systematic Evolution of Ligands by EXponential enrichment (SELEX) experiment begins in round one with a random pool of oligonucleotides in equilibrium solution with a target. Over a few rounds, oligonucleotides having a high affinity for…

Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequently, the goal is to provide a valid synthesis route for a…

We carry out a theoretical study of the vibrational and relaxation properties of naturally-occurring proteins with the purpose of characterizing both the folding and equilibrium thermodynamics. By means of a suitable model we provide a full…

Statistical Mechanics · Physics 2007-05-23 Cristian Micheletti , Gianluca Lattanzi , Amos Maritan

Langevin Dynamics simulations of polymer translocation are performed where the polymer is stretched via two opposing forces applied on the first and last monomer before and during translocation. In this setup, polymer translocation is…

Soft Condensed Matter · Physics 2018-08-08 Hendrick W. de Haan , David Sean , Gary W. Slater

Keypoint matching can be slow and unreliable in challenging conditions such as repetitive textures or wide-baseline views. In such cases, known geometric relations (e.g., the fundamental matrix) can be used to restrict potential…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Oleksii Nasypanyi , Francois Rameau

We experimentally demonstrate that information replication by templated ligation of DNA strands inherits a kinetic proofreading mechanism and achieves significant error suppression through cascade replication. A simple simulation model…

Biological Physics · Physics 2025-12-10 Hiroyuki Aoyanagi , Yasuhiro Magi , Shoichi Toyabe

With the continued scaling of quantum processors, holistic benchmarks are essential for extensively evaluating device performance. Layer fidelity is a benchmark well-suited to assessing processor performance at scale. Key advantages of this…

Quantum Physics · Physics 2026-02-24 Maria Jose Lozano Palacio , Hasan Nayfeh , Matthew Ware , David C. McKay

Fine-tuning is a popular way of exploiting knowledge contained in a pre-trained convolutional network for a new visual recognition task. However, the orthogonal setting of transferring knowledge from a pretrained network to a visually…

Computer Vision and Pattern Recognition · Computer Science 2020-08-28 Amelie Royer , Christoph H. Lampert

Most technical polymers and many biopolymers contain very different molecular species (unlike chain length, molecular architecture and/or chemical composition) in contrast to pure low molecular weight compounds. This inconsistent…

Materials Science · Physics 2007-06-25 John Eckelt , B. A. Wolf

The production of sequence-specific copolymers using copolymer templates is fundamental to the synthesis of complex biological molecules and is a promising framework for the synthesis of synthetic chemical complexes. Unlike the…

Soft Condensed Matter · Physics 2022-02-16 Jordan Juritz , Jenny M Poulton , Thomas E Ouldridge