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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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

软凝聚态物质 · 物理学 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…

计算工程、金融与科学 · 计算机科学 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.…

计算工程、金融与科学 · 计算机科学 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…

生物大分子 · 定量生物学 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…

机器学习 · 计算机科学 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…

核理论 · 物理学 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…

高能物理 - 唯象学 · 物理学 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…

生物物理 · 物理学 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…

高能物理 - 唯象学 · 物理学 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…

生物大分子 · 定量生物学 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…

生物物理 · 物理学 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…

软凝聚态物质 · 物理学 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…

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…

高能物理 - 唯象学 · 物理学 2011-09-13 M. Beneke , Th. Feldmann
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