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Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…

Machine Learning · Computer Science 2024-01-10 Qizhi Pei , Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Kun He , Tie-Yan Liu , Rui Yan

Experiments have revealed that membrane proteins can form two-dimensional clusters with regular translational and orientational protein arrangements, which may allow cells to modulate protein function. However, the physical mechanisms…

Biomolecules · Quantitative Biology 2016-11-04 Osman Kahraman , Peter D. Koch , William S. Klug , Christoph A. Haselwandter

The spatial organization of complex biochemical reactions is essential for the regulation of cellular processes. Membrane-less structures called foci containing high concentrations of specific proteins have been reported in a variety of…

We present a coarse-grained C$\alpha$-based protein model that can be used to simulate structured, intrinsically disordered and partially disordered proteins. We use a Go-like potential for the structured parts and two different variants of…

Soft Condensed Matter · Physics 2024-04-09 Łukasz Mioduszewski , Jakub Bednarz , Mateusz Chwastyk , Marek Cieplak

We report theoretical and simulation studies of phase coexistence in model globular protein solutions, based on short-range, central, pair potential representations of the interaction among macro-particles. After reviewing our previous…

Soft Condensed Matter · Physics 2009-11-10 G. Pellicane , D. Costa , C. Caccamo

Protein tertiary structure defines its functions, classification and binding sites. Similar structural characteristics between two proteins often lead to the similar characteristics thereof. Determining structural similarity accurately in…

Computer Vision and Pattern Recognition · Computer Science 2016-10-05 Rezaul Karim , Md. Momin Al Aziz , Swakkhar Shatabda , M. Sohel Rahman

We investigate a set of design principles that link specific features of interparticle interactions to predictable structural and dynamic outcomes in two-dimensional self-assembly, a framework relevant to soft matter and biological…

Soft Condensed Matter · Physics 2026-01-06 Cecilia Bores , Antonio Diaz-Pozuelo , Enrique Lomba

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

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

The spectrum and scale of fluctuations in protein structures affect the range of cell phenomena, including stability of protein structures or their fragments, allosteric transitions and energy transfer. The study presents a…

Biomolecules · Quantitative Biology 2015-05-13 Anatoly M. Ruvinsky , Ilya A. Vakser

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

Isospin-violating dark matter (IVDM) provides a possible mechanism to ameliorate the tension among recent direct detection experiments. For IVDM, we demonstrate that the results of direct detection experiments based on neutron-rich target…

Nuclear Theory · Physics 2014-09-10 Hao Zheng , Zhen Zhang , Lie-Wen Chen

We consider impact parameter dependence of the polarized and unpolarized parton densities. Unitarity does not allow factorization of these structure functions over the Bjorken x and the impact parameter b variables. On the basis of the…

High Energy Physics - Phenomenology · Physics 2009-10-31 S. M. Troshin , N. E. Tyurin

Weak interactions form the core basis of a vast number of biological processes, in particular, those involving intrinsically disordered proteins. Here, we establish a new technique capable of probing these weak interactions between…

Biological Physics · Physics 2019-10-02 Indrani Chakraborty , Gil Rahamim , Ram Avinery , Yael Roichman , Roy Beck

A non-linear sigma model effective lagrangian is analyzed for theories in which supersymmetry is softly broken at scales below the electroweak symmetry breaking scale. Besides the gauge and matter supermultiplets, the low energy theory…

High Energy Physics - Phenomenology · Physics 2009-10-28 Thomas E. Clark , Tonnis A. ter Veldhuis

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

We investigate the fine structure of the sp3 hybridized covalent bond geometry that governs the tetrahedral architecture around the central C$_\alpha$ carbon of a protein backbone, and for this we develop new visualization techniques to…

Biological Physics · Physics 2015-06-11 Martin Lundgren , Antti J. Niemi

We use Small Angle Neutron Scattering (SANS), with an original analysis method, to obtain both the characteristic sizes and the inner composition of lysozyme-pectin complexes depending on the charge density. Lysozyme is a globular protein…

Soft Condensed Matter · Physics 2010-05-11 Isabelle Schmidt , Fabrice Cousin , Christophe Huchon , François Boué , Monique A. V. Axelos

An effective model for protein structures is important for the study of protein geometry, which, to a large extent, determine the functions of proteins. There are a number of approaches for modelling; one might focus on the conformation of…

Biomolecules · Quantitative Biology 2021-11-30 Jørgen Ellegaard Andersen , Jens Ledet Jensen , Yuki Koyanagi , Jakob Toudahl Nielsen , Rasmus Villemoes

We investigate the factorization of different momentum modes that appear in matrix elements for exclusive B meson decays into light energetic particles for the specific case of B -> pi form factors at large pion recoil. We first integrate…

High Energy Physics - Phenomenology · Physics 2011-09-13 M. Beneke , Th. Feldmann
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