Results 71 to 80 of about 553 (265)

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

Advanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou, Qihang Zhen, Zexin Lv, Xinyue Cui, Suhui Wang, Minghua Hou, Zhan Zhou, Xiaogen Zhou, Guijun Zhang   +8 more
wiley   +1 more source

Numerical solution of Volterra integral equations with weakly singular kernels which may have a boundary singularity

Mathematical Modelling and Analysis, 2009
We propose a piecewise polynomial collocation method for solving linear Volterra integral equations of the second kind with kernels which, in addition to a weak diagonal singularity, may have a weak boundary singularity.
Marek Kolk, Arvet Pedas
doaj   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

An Efficient RBF-Based Collocation Approach for Second-Order Fractional Partial Integro-Differential Problems with Singular Kernel [PDF]

Journal of Applied and Computational Mechanics
This paper presents an efficient numerical method for solving second-order time-fractional partial integro-differential equations (PIDEs) with weakly singular kernels.
Arshed Ali, Imtiaz Ahmad
doaj   +1 more source

A Versatile‐Designable Framework for Active and Programmable Shape‐Morphing Soft Matter Systems: From Inverse Design to Closed‐Loop Control

Advanced Science, EarlyView.
A versatile framework integrates addressable electrothermal actuation and strain‐constraint mechanisms to construct programmable shape‐morphing soft matter systems. By combining an analytical inverse design strategy for high‐fidelity 3D surface reconstruction with deep learning‐based closed‐loop control, this approach enables zero‐energy shape locking,
Kai Liu, Peiling Xie, Ruitong Song, Banghan Liu, Rui Guo, Jiu‐an Lv   +5 more
wiley   +1 more source

Chemically Gradient Ordered Nanodomains Enable Large Tensile Ductility in Gigapascal Lightweight Refractory High‐Entropy Alloys

Advanced Science, EarlyView.
A high‐strength lightweight refractory high‐entropy alloy achieves extraordinary ductility owing to the introduction of coherent chemically gradient ordered nanodomains (CGONs). The CGONs not only serve as effective barriers to dislocation motion (strengthening) but also significantly promote dislocation nucleation and multiplication (ductilizing) upon
Wei Zhang, Dingshun Yan, Yong Zhang, Zhiming Li   +3 more
wiley   +1 more source

A Phosphorylation‐Induced Micellization Switch in the Low‐Complexity Domain of TDP‐43

Advanced Science, EarlyView.
Phosphorylation of TAR DNA‐binding protein's 43 kDa (TDP‐43) low‐complexity domain by casein kinase 1 delta (CK1δ) acts as a molecular switch, redirecting its self‐assembly from macroscopic phase separation toward finite‐sized, spherical block‐copolymer micelles of ∼30 nm.
Rodrigo F. Dillenburg, Anastasia Lopatina, Hao Ruan, Tom Scheidt, Simone Mosna, Emre Pekbilir, Julia Bieber, Frank Schäfer‐Depoix, Katharina Landfester, Carla Schmidt, Martin M. Möckel, Svenja Morsbach, Friederike Schmid, Dorothee Dormann, Lukas Stelzl, Martin Girard, Edward A. Lemke   +16 more
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Identification of Weakly Singular Relaxation Kernels in Three-Dimensional Viscoelasticity

Journal of Mathematical Analysis and Applications, 2001
The author is concerned with the following operator identification problem related to a Hilbert space \(X\), a Banach space \(Y\hookrightarrow X\) (densely) and to a closed subspace \(K\subset {\mathcal L}(X)\): determine a pair of functions \(u:(0,+\infty)\to X\) and \(M:(0,+\infty)\to K\) satisfying the equations \[ u''(t) = Au(t) - \int_0^t M(t-s)Bu(
openaire   +1 more source

Nanovesicles With Mechanically Induced Adjuvanticity for Robust Melanoma Vaccination Toward Tumor‐Associated Macrophages

Advanced Science, EarlyView.
Rigidity‐tunable nanovesicle (P‐Pm) with mechanically induced adjuvanticity toward tumor‐associated macrophages (TAMs) was designed to engineer R848/gp100 antigen ‐loaded nanovaccine (P@Rg‐Pm), which achieved outstanding anti‐tumor outcomes in both therapeutic and preventive model of B16‐F10 melanoma.
Bangyue Luo, Liyan Qiu
wiley   +1 more source