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As protein folding is a NP-complete problem, artificial intelligence tools like neural networks and genetic algorithms are used to attempt to predict the 3D shape of an amino acids sequence. Underlying these attempts, it is supposed that…

Biomolecules · Quantitative Biology 2015-11-03 Jacques M. Bahi , Nathalie M. -L. Cote , Christophe Guyeux

The identification of co-regulated genes and their transcription-factor binding sites (TFBS) are the key steps toward understanding transcription regulation. In addition to effective laboratory assays, various bi-clustering algorithms for…

Machine Learning · Computer Science 2023-02-06 Kaijie Xu

Synthetic sequence-controlled polymers promise to transform polymer science by combining the chemical versatility of synthetic polymers with the precise sequence-mediated functionality of biological proteins. However, design of these…

Materials Science · Physics 2025-07-30 Md Mushfiqul Islam , Nishat N. Labiba , Lawrence O. Hall , David S. Simmons

Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental…

Biomolecules · Quantitative Biology 2021-03-16 Charlotte W. van Noort , Rodrigo V. Honorato , Alexandre M. J. J. Bonvin

A new tetrahedral structure model was developed and the geometrical structure of jammed disordered packings of monodisperse spheres with different friction coefficients was systematically characterized. An intrinsic structure feature is…

Soft Condensed Matter · Physics 2020-10-06 S. Q. Jiang , M. Z. Li

Lipid membranes have complex compositions and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work we attempt to describe the thermodynamics of binary lipid mixtures by mapping…

Soft Condensed Matter · Physics 2024-09-04 L. Berezovska , R. Kociurzynski , F. Thalmann

Exploring and understanding the protein-folding problem has been a long-standing challenge in molecular biology. Here, using molecular dynamics simulation, we reveal how parallel distributed adjacent planar peptide groups of unfolded…

Biomolecules · Quantitative Biology 2019-01-11 Xiaoliang Ma , Chengyu Hou , Liping Shi , Long Li , Jiacheng Li , Lin Ye , Lin Yang , Xiaodong He

In this work, we first define intuitionistic fuzzy parametrized soft sets (intuitionistic FP-soft sets) and study some of their properties. We then introduce an adjustable approaches to intuitionistic FP-soft sets based decision making. We…

Logic · Mathematics 2015-02-24 İrfan Deli , Naim Çağman

In a similar way in which the folding of single--domain proteins provide an important test in the study of self--organization, the folding of homodimers constitute a basic challenge in the quest for the mechanisms which are at the basis of…

Soft Condensed Matter · Physics 2007-05-23 G. Tiana , R. A. Broglia

Binding interactions between proteins and other molecules mediate numerous cellular processes, including metabolism, signaling, and regulation of gene expression. These interactions evolve in response to changes in the protein's chemical or…

Populations and Evolution · Quantitative Biology 2015-02-19 Michael Manhart , Alexandre V. Morozov

The three dimensional structure of a protein is an outcome of the interactions of its constituent amino acids in 3D space. Considering the amino acids as nodes and the interactions among them as edges we have constructed and analyzed…

Biomolecules · Quantitative Biology 2010-07-26 Dhriti Sengupta , Sudip Kundu

We theorize that phylogenetic profiles provide a quantitative method that can relate the structural and functional properties of proteins, as well as their evolutionary relationships. A key feature of phylogenetic profiles is the…

Quantitative Methods · Quantitative Biology 2009-11-04 Yoojin Hong , Jaewoo Kang , Dongwon Lee , Randen L. Patterson , Damian B. van Rossum

Interacting-Particle Reaction Dynamics (iPRD) simulates the spatiotemporal evolution of particles that experience interaction forces and can react with one another. The combination of interaction forces and reactions enable a wide range of…

Chemical Physics · Physics 2018-07-20 Christoph Fröhner , Frank Noé

Amyloid fibrils are stable aggregates of misfolded proteins and polypeptides that are insoluble and resistant to protease activity. Abnormal formation of amyloid fibrils in vivo may lead to neurodegenerative disorders and other systemic…

Biomolecules · Quantitative Biology 2018-05-22 Boris Haimov , Simcha Srebnik

Single molecule and NMR measurements of protein dynamics increasingly uncover the complexity of binding scenarios. Here we describe an extended conformational selection model which embraces a repertoire of selection and adjustment…

Biomolecules · Quantitative Biology 2010-10-05 Peter Csermely , Robin Palotai , Ruth Nussinov

This paper introduces an indirect adaptive fuzzy model predictive control strategy for a nonlinear rotational inverted pendulum with model uncertainties. In the first stage, a nonlinear prediction model is provided based on the fuzzy sets,…

Optimization and Control · Mathematics 2019-03-20 Roja Eini , Sherif Abdelwahed

This work introduces a methodology for the statistical mechanical analysis of polymeric chains under tension controlled by optical or magnetic tweezers at thermal equilibrium with an embedding fluid medium. The response of single bonds…

Soft Condensed Matter · Physics 2020-02-26 Aaron C. Meyer , Yahya Öz , Norman Gundlach , Michael Karbach , Ping Lu , Gerhard Müller

An in-depth insight into the chemistry and nature of the individual chemical bonds is essential for understanding materials. Bonding analysis is thus expected to provide important features for large-scale data analysis and machine learning…

Materials Science · Physics 2023-09-19 Aakash Ashok Naik , Christina Ertural , Nidal Dhamrait , Philipp Benner , Janine George

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung
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