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Analyzing the physical and chemical properties of single DNA based molecular machines such as polymerases and helicases often necessitates to track stepping motion on the length scale of base pairs. Although high resolution instruments have…

Biological Physics · Physics 2016-09-07 Joachim Rosskopf , Korbinian Paul-Yuan , Martin B. Plenio , Jens Michaelis

Recent whole genome polymerase binding assays have shown that a large proportion of unexpressed genes have pre-assembled RNA pol II transcription initiation complex stably bound to their promoters. Some such promoter proximally paused genes…

Molecular Networks · Quantitative Biology 2015-03-19 Alistair N. Boettiger , Peter L. Ralph , Steven N. Evans

DNA replication fidelity is a critical issue in molecular biology. Biochemical experiments have provided key insights on the mechanism of fidelity control by DNAP in the past decades, whereas systematic theoretical studies on this issue…

Statistical Mechanics · Physics 2019-07-31 Qiu-Shi Li , Pei-Dong Zheng , Yao-Gen Shu , Zhong-Can Ou-Yang , Ming Li

Experimental evidences show that in gene transcription, RNA polymerase has the possibility to be stalled at certain position of the transcription template. This may be due to the template damage, or protein barriers. Once stalled,…

Biological Physics · Physics 2015-02-10 Jingwei Li , Yunxin Zhang

Predicting faults before they occur helps to avoid potential safety hazards. Furthermore, planning the required maintenance actions in advance reduces operation costs. In this article, the focus is on electrochemical cells. In order to…

Machine Learning · Computer Science 2020-07-28 Daniel Buades Marcos , Soumaya Yacout , Said Berriah

Recently, several groups have used error-prone polymerase chain reactions to construct mutant libraries containing up to 27 nucleotide mutations per gene on average, and reported a striking observation: although retention of protein…

Quantitative Methods · Quantitative Biology 2007-05-23 D. Allan Drummond , Brent L. Iverson , George Georgiou , Frances H. Arnold

The goal of Feature Selection - comprising filter, wrapper, and embedded approaches - is to find the optimal feature subset for designated downstream tasks. Nevertheless, current feature selection methods are limited by: 1) the selection…

Machine Learning · Computer Science 2023-09-18 Meng Xiao , Dongjie Wang , Min Wu , Pengfei Wang , Yuanchun Zhou , Yanjie Fu

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Statistical Mechanics · Physics 2020-06-01 Stephen Whitelam , Isaac Tamblyn

Stability selection is a popular method for improving feature selection algorithms. One of its key attributes is that it provides theoretical upper bounds on the expected number of false positives, E(FP), enabling false positive control in…

Methodology · Statistics 2025-07-18 Omar Melikechi , Jeffrey W. Miller

Non-equilibrium selection pressures were proposed for the formation of oligonucleotides with rich functionalities encoded in their sequences, such as catalysis. Since phase separation was shown to direct various chemical processes, we ask…

Statistical Mechanics · Physics 2024-10-14 Ivar S. Haugerud , Giacomo Bartolucci , Dieter Braun , Christoph A. Weber

An important issue for the origins of life is ensuring the accurate maintenance of information in replicating polymers in the face of inevitable errors. Here, we investigated how this maintenance depends on reaction kinetics by…

Biological Physics · Physics 2022-05-11 Yoshiya J. Matsubara , Nobuto Takeuchi , Kunihiko Kaneko

Approximate computing is being considered as a promising design paradigm to overcome the energy and performance challenges in computationally demanding applications. If the case where the accuracy can be configured, the quality level versus…

Machine Learning · Computer Science 2019-01-07 Shayan Tabatabaei Nikkhah , Mehdi Kamal , Ali Afzali-Kusha , Massoud Pedram

Feature screening for ultrahigh-dimension, in general, proceeds with two essential steps. The first step is measuring and ranking the marginal dependence between response and covariates, and the second is determining the threshold. We…

Methodology · Statistics 2022-07-28 Linsui Deng , Yilin Zhang

Cellular signaling, crucial for biological processes like immune response and homeostasis, relies on specificity and fidelity in signal transduction to accurately respond to stimuli amidst biological noise. Kinetic proofreading (KPR) is a…

Molecular Networks · Quantitative Biology 2026-05-12 Xiangting Li , Tom Chou

Protein sequences are believed to have been selected to provide the stability of, and reliable renaturation to, an encoded unique spatial fold. In recently proposed theoretical schemes, this selection is modeled as ``minimal frustration,''…

Condensed Matter · Physics 2009-10-28 Vijay S. Pande , Alexander Yu. Grosberg , Toyoichi Tanaka

High-throughput screening (HTS) is a large-scale hierarchical process in which a large number of chemicals are tested in multiple stages. Conventional statistical analyses of HTS studies often suffer from high testing error rates and…

Applications · Statistics 2017-07-13 Tao Feng , Pallavi Basu , Wenguang Sun , Hsun Teresa Ku , Wendy J. Mack

To perform recognition, molecules must locate and specifically bind their targets within a noisy biochemical environment with many look-alikes. Molecular recognition processes, especially the induced-fit mechanism, are known to involve…

Biomolecules · Quantitative Biology 2010-07-27 Yonatan Savir , Tsvi Tlusty

The functioning of machines typically requires a concerted action of their parts. This requirement also holds for molecular motors that drive vital cellular processes and imposes constraints on their conformational changes as well as the…

Biological Physics · Physics 2022-06-14 Zena Hadjivasiliou , Karsten Kruse

A long standing debate in biochemistry is to determine whether the conformational changes observed during biomolecular interactions proceed through conformational selection (of preexisting isoforms) or induced fit (ligand-induced 3D…

Molecular Networks · Quantitative Biology 2016-09-28 Denis Michel

Protein binding often involves conformational changes. Important questions are whether a conformational change occurs prior to a binding event ('conformational selection') or after a binding event ('induced fit'), and how conformational…

Biomolecules · Quantitative Biology 2016-09-22 Fabian Paul , Thomas R. Weikl