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Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes…

Machine Learning · Computer Science 2023-09-19 Vijay Arvind. R , Haribharathi Sivakumar , Brindha. R

Recent experimental results suggest that the native fold, or topology, plays a primary role in determining the structure of the transition state ensemble, at least for small fast folding proteins. To investigate the extent of the…

Statistical Mechanics · Physics 2007-05-23 Cecilia Clementi , Hugh Nymeyer , Jose' Nelson Onuchic

Recent advances in coarse-grained lattice and off-lattice protein models are reviewed. The sequence dependence of thermodynamical folding properties are investigated and evidence for non-randomness of the binary sequences of good folders…

High Energy Physics - Lattice · Physics 2015-06-25 C. Peterson

The Unfolded Protein Response is the cell mechanism for maintaining the balance of properly folded proteins in the endoplasmic reticulum , the specialized cellular compartment. Although it is largely studied from a biological point of view,…

Molecular Networks · Quantitative Biology 2023-04-05 Nicole Luchetti , Alessandro Loppini , Margherita Anna Grazia Matarrese , Letizia Chiodo , Simonetta Filippi

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

We introduce a stochastic model describing aggregation of misfolded proteins and degradation by the protein quality control system in a single cell. In analogy with existing literature, aggregates can grow, nucleate and fragment…

Cell Behavior · Quantitative Biology 2012-07-06 Simone Pigolotti , Ludvig Lizana , Daniel Otzen , Kim Sneppen

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

Semiconductors are widely used in various applications and critical infrastructures. These devices have specified lifetimes and quality targets that manufacturers must achieve. Lifetime estimation is conducted through accelerated stress…

Applications · Statistics 2025-01-14 Lukas Sommeregger , Jürgen Pilz

Proper quality control (QC) is time consuming when working with large-scale medical imaging datasets, yet necessary, as poor-quality data can lead to erroneous conclusions or poorly trained machine learning models. Most efforts to reduce…

Predicting the final folded structure of protein molecules and simulating their folding pathways is of crucial importance for designing viral drugs and studying diseases such as Alzheimer's at the molecular level. To this end, this paper…

Systems and Control · Electrical Eng. & Systems 2021-04-28 Alireza Mohammadi , Mark W. Spong

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

The process of protein folding from an unfolded state to a biologically active, folded conformation is governed by many parameters e.g the sequence of amino acids, intermolecular interactions, the solvent, temperature and chaperon…

Soft Condensed Matter · Physics 2010-10-19 Pragya Shukla

End-to-end engineering design pipelines, in which designs are evaluated using concurrently defined optimal controllers, are becoming increasingly common in practice. To discover designs that perform well even under the misspecification of…

Systems and Control · Electrical Eng. & Systems 2025-10-10 Yash Patel , Sahana Rayan , Ambuj Tewari

Models in systems biology are mathematical descriptions of biological processes that are used to answer questions and gain a better understanding of biological phenomena. Dynamic models represent the network through rates of the production…

Biomolecules · Quantitative Biology 2020-10-14 Ewelina Weglarz-Tomczak , Jakub M. Tomczak , Agoston E. Eiben , Stanley Brul

We apply a new approach to the reverse protein folding problem. Our method uses a minimization function in the design process which is different from the energy function used for folding. For a lattice model, we show that this new approach…

Condensed Matter · Physics 2009-10-28 J. M. Deutsch , Tanya Kurosky

We present a new modeling approach for G protein coupled receptors signaling systems, that take into account the compartmentalization of receptors and their effectors, both at plasma membrane and in dynamic intra-cellular vesicles called…

Analysis of PDEs · Mathematics 2023-05-23 Claire Alamichel , Juan Calvo , Erwan Hingant , Saoussen Latrach , Nathan Quiblier , Romain Yvinec

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

When developing high-speed and high-precision CNC machine tools, subsystem coupling effects must be considered while designing the feed system to maximize its dynamic performance. Currently, the influence of changes in control parameters on…

Systems and Control · Electrical Eng. & Systems 2023-10-17 Dongsheng Zhang , Xuesong Wang , Tingting Zhang

The endoplasmic reticulum (ER), a cellular organelle that forms a cell-spanning network of tubes and sheets, is an important location of protein synthesis and folding. When the ER experiences sustained unfolded protein stress, IRE1 proteins…

Biological Physics · Physics 2023-05-02 Liam T Kischuck , Aidan I Brown

Metabolic modeling strives to develop modeling approaches that are robust and highly predictive. To achieve this, various modeling designs, including hybrid models, and parameter estimation methods that define the type and number of…

Molecular Networks · Quantitative Biology 2021-04-26 Jerneja Štor , David E. Ruckerbauer , Diana Széliova , Jürgen Zanghellini , Nicole Borth
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