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Topological insulators are bulk semiconductors that manifest in-gap massless Dirac surface states due to the topological bulk-boundary correspondence principle [1-3]. These surface states have been a subject of tremendous ongoing interest,…

Antibodies are widely used in life-sciences and medical therapy. Yet, broadly applicable methods are missing to determine, in the biological system of choice, antibody specificity and its quantitative contribution to e.g. immunofluorescence…

Quantitative Methods · Quantitative Biology 2024-07-09 Dominik Tschimmel , Momina Saeed , Maria Milani , Steffen Waldherr , Tim Hucho

In this paper, a new method for PPI (proteinprotein interaction) prediction is proposed. In PPI prediction, a reliable and sufficient number of training samples is not available, but a large number of unlabeled samples is in hand. In the…

Machine Learning · Computer Science 2016-07-19 Amir Ahooye Atashin , Parsa Bagherzadeh , Kamaledin Ghiasi-Shirazi

Identifying protein-protein interactions (PPI) is crucial for gaining in-depth insights into numerous biological processes within cells and holds significant guiding value in areas such as drug development and disease treatment. Currently,…

Quantitative Methods · Quantitative Biology 2025-01-30 Jiang Li , Yuan-Ting Li

Multivalent particles competing for binding on the same surface can exhibit switch-like behaviour, depending on the concentration of receptors on the surface. When the receptor concentration is low, energy dominates the free energy of…

Soft Condensed Matter · Physics 2016-08-24 Nicholas B. Tito , Daan Frenkel

We report simulation studies of 33 single intrinsically disordered proteins (IDPs) using coarse-grained (CG) bead-spring models where interactions among different amino acids are introduced through a hydropathy matrix and additional…

Soft Condensed Matter · Physics 2023-12-07 Swarnadeep Seth , Brandon Stine , Aniket Bhattacharya

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent formation of reactive oxygen species under light stress. Understanding how this…

Chemical Physics · Physics 2024-12-18 Johanna L. Hall , Shiun-Jr Yang , David T. Limmer , Graham R. Fleming

A key issue in the development of high-performance semiconductor devices is the ability to properly measure active dopants at the nanometer scale. 4D scanning transmission electron microscopy and off-axis electron holography have opened up…

We investigate the conformation, position, and dynamics of core-shell nanoparticles (CSNPs) composed of a silica core encapsulated in a cross-linked poly-N-isopropylacrylamide shell at a water-oil interface for a systematic range of core…

Soft Condensed Matter · Physics 2018-09-07 Siddarth A. Vasudevan , Astrid Rauh , Martin Kröger , Matthias Karg , Lucio Isa

Detection of protein-protein interactions (PPIs) plays a vital role in molecular biology. Particularly, infections are caused by the interactions of host and pathogen proteins. It is important to identify host-pathogen interactions (HPIs)…

Machine Learning · Computer Science 2019-03-26 Abdul Hannan Basit , Wajid Arshad Abbasi , Amina Asif , Fayyaz Ul Amir Afsar Minhas

Interactions of polyelectrolytes (PEs) with proteins play a crucial role in numerous biological processes, such as the internalization of virus particles into host cells. Although docking, machine learning methods, and molecular dynamics…

Biomolecules · Quantitative Biology 2024-09-04 Lenard Neander , Cedric Hannemann , Roland R. Netz , Anil Kumar Sahoo

A Non-Binary Snow Index for Multi-Component Surfaces (NBSI-MS) is proposed to map snow/ice cover. The NBSI-MS is based on the spectral characteristics of different Land Cover Types (LCTs) such as snow, water, vegetation, bare land,…

We derive a formulation of the First Law of nonequilibrium thermodynamics for biological information-processing systems by partitioning entropy in the Second Law into microscopic and mesoscopic components and by assuming that natural…

Statistical Mechanics · Physics 2025-11-03 Roger D. Jones , Achille Giacometti , Alan M. Jones

I consider the possibility that Gaussian random walk statistics are sufficient to trap nanoscopic additives at either a polymer interface or surface. When an additive particle goes to the free surface, two portions of the polymer surface…

Soft Condensed Matter · Physics 2015-05-26 Galen T. Pickett

The Tsallis entropy and Fisher information entropy (matrix) are very important quantities expressing information measures in nonextensive systems. Stationary and dynamical properties of the information entropies have been investigated in…

Statistical Mechanics · Physics 2009-11-13 Hideo Hasegawa

The accurate description of molecule-surface interactions requires a detailed knowledge of the underlying potential-energy surface (PES). Recently, neural networks (NNs) have been shown to be an efficient technique to accurately interpolate…

Materials Science · Physics 2009-11-13 Jorg Behler , Sonke Lorenz , Karsten Reuter

Topological insulators (TIs) are novel materials that manifest spin-polarized Dirac states on their surfaces or at interfaces made with conventional matter. We have measured the electron kinetics of bulk doped TI Bi$_2$Se$_3$ with angle…

Materials Science · Physics 2012-06-07 L. A. Wray , M. Neupane , S. -Y. Xu , Y. -Q. Xia , A. V. Fedorov , H. Lin , S. Basak , A. Bansil , Y. S. Hor , R. J. Cava , M. Z. Hasan

Deformations of geometric characteristics of statistical hypersurfaces governed by the law of growth of entropy are studied. Both general and special cases of deformations are considered. The basic structure of the statistical hypersurface…

Mathematical Physics · Physics 2020-08-06 Mario Angelelli , Boris Konopelchenko

Statistical fragment emission from excited nuclear systems is studied within the framework of a schematic Fermi-gas model combined with Weisskopf's detailed balance approach. The formalism considers thermal expansion of finite nuclear…

Nuclear Theory · Physics 2009-11-07 Jan Tõke , Jun Lu , W. Udo Schröder