Results 211 to 220 of about 1,526,997 (293)

Structure-Based and AI-Assisted Identification of AGPS Inhibitors for Glioma via Integrated Docking, Molecular Dynamics, and Binding Affinity Screening. [PDF]

ACS Omega
Thaikkad A, Thomas SD, Dcunha L, John L, Vijayan J, Joy N, R Dev R, Raju R, Jayanandan A.   +8 more
europepmc   +1 more source

Elucidating the Role of Surface Ligands on the Oxidative Etching of Au Bipyramids During Photothermia Using Liquid Cell Transmission Electron Microscopy

Advanced Functional Materials, EarlyView.
Gold bipyramids can act as efficient plasmonic nanoheaters, but they often reshape during laser heating. This study shows that oxygen nanobubbles drive oxidative etching and that surface ligands control stability. CTAB‐ and citrate‐coated particles blunt and lose optical performance, whereas polystyrene sulfonate preserves shape and heating by ...
Irene López‐Sicilia, Valentina Girelli Consolaro, Sophie Marbach, Nancy Rahbany, Grégoire Petit, Ovidiu Ersen, Juan J. Giner‐Casares, Ali Abou‐Hassan   +7 more
wiley   +1 more source

Aryl sulfur ligand-modulated silver catalysts with tailored binding affinity for selective nitrate-to-ammonia conversion. [PDF]

Nat Commun
Zhang L, Liu Y, Li L, Li X, Song P, Chen T, Wu Q, Seow JZY, Tang K, Sun S, Guo X, Xu ZJ.   +11 more
europepmc   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structures. [PDF]

Brief Bioinform
Pan Q, Portelli S, Nguyen TB, Ascher DB.
europepmc   +1 more source

Achieving High ON State Current through Ferroelectric Polarization‐Dependent Interfacial Resistance Switching in Undoped Orthorhombic HfO2 Films

Advanced Functional Materials, EarlyView.
Ferroelectric tunnel junction devices based on epitaxial undoped ferroelectric HfO2 films demonstrate stable switching endurance of over 106 switching cycles, low write voltages of ±3 V, 16 measured resistance states, and neuromorphic capability.
Markus Hellenbrand, Nuno Estrócio, Ji S. Kim, Babak Bakhit, Marian C. Istrate, Corneliu Ghica, Tiago Rebelo, Nives Strkalj, Abin Varghese, Bernardo Almeida, Luís S. Marques, Bipin Rajendran, Judith L. MacManus‐Driscoll, José P. B. Silva   +13 more
wiley   +1 more source

AlphaBind, a domain-specific model to predict and optimize antibody-antigen binding affinity. [PDF]

MAbs
Agarwal AA, Harrang J, Noble D, McGowan KL, Lange AW, Engelhart E, Lahman MC, Adamo J, Yu X, Serang O, Minch KJ, Wellman KY, Younger DA, Lopez RM, Emerson RO.   +14 more
europepmc   +1 more source

Rate‐Adaptive Site Transformation Catalyst for Parallel Water Dissociation and Hydrogen Adsorption in Alkaline Hydrogen Evolution

Advanced Functional Materials, EarlyView.
This work presents a rate‐adaptive site transformation strategy in Ag‑ethylenediamine intercalated Co9S8, which not only enables parallel water dissociation and H* adsorption, but also allows the catalyst to provide more active sites under high demand, removing a major bottleneck. The catalyst achieves a record current density of 4.2 A cm−2@2.0 V, with
Yongqi Ye, Yuzhuo Jiang, Bin Tian, Derek Ho   +3 more
wiley   +1 more source

DeepKinome: quantitative prediction of kinase binding affinity by a compound using deep learning based regression model. [PDF]

Front Mol Biosci
Lee Y, Eun J, Lee J, Nam S.
europepmc   +1 more source

Engineering Hydrogen‐Down Water Configurations for Ampere‐Level Electrochemical CO2 Reduction to Formate

Advanced Functional Materials, EarlyView.
Electrochemical CO2 reduction (ECR) to formate is a promising route for sustainable chemical production. Herein, we report the synthesis catalysed byBi‐HfO2@C. The AIMD simulations, DFT calculations, and in situ SEIRAS measurements show that the modification of HfO2 on the Bi surface steers the interfacial water to adopt a favorable hydrogen‐down (OH2↓)
Xiao‐Dong Guo, Shao‐Qing Liu, Jia‐Yi Wu, Qi‐Rui Wen, Xiaoxiao Wei, Shu‐Wen Wu, Xian‐Zhu Fu, Jing‐Li Luo   +7 more
wiley   +1 more source