Results 131 to 140 of about 517,836 (269)

Transparent UV‐Curable Self‐Sanitizing Coatings Applicable to Diverse Surfaces and High‐Touch Screens to Mitigate Deadly Pathogen Transmission

Advanced Functional Materials, EarlyView.
Development of a transparent, self‐sanitizing antimicrobial coating technology applicable to a wide range of materials and surfaces‐including touchscreens, transparent substrates, and metal, plastic, and glass‐regardless of pathogen type. The spray‐coated, UV‐cross‐linked imidazole‐based quaternary ammonium chloride materials provide broad‐spectrum ...
Surjith Kumaran, Sumin Han, Euna Oh, Chunghee Jo, Hyerin Shin, Dae‐Hong Ko, Hyo‐Jick Choi   +6 more
wiley   +1 more source

Binding Affinity Prediction for Pancreatic Ductal Adenocarcinoma Using Drug-Target Descriptors and Artificial Intelligence

IEEE Access
Pancreatic ductal adenocarcinoma (PDAC) is the most common and aggressive form of pancreatic cancer, accounting for 90% of all pancreatic malignancies.
Pragya, A. Amalin Prince, Jac Fredo Agastinose Ronickom   +2 more
doaj   +1 more source

Tin‐Oxo Nanocluster Extreme UV Photoresists Equipped with Chemical Features for Atmospheric Stability and High EUV Sensitivity

Advanced Functional Materials, EarlyView.
Fluoroalkyl‐functionalized tin–oxo nanoclusters (N‐TOC6) enable robust pattern formation through ligand crosslinking under EUV exposure without thermal processing. Sn–F coordination mitigates the Lewis acidity of Sn centers, suppressing reactions with airborne molecules and improving post‐exposure pattern stability.
Yejin Ku, Gayoung Kim, Minseung Kim, Hyungju Ahn, Jin‐Kyun Lee, Jiho Kim, Byeong‐Gyu Park, Dohyun Moon, Sangsul Lee, Seohyeon Lee, Yu Ha Jang, Byung Jun Jung, Hyunseok Kim, Changhyeon Lee, Su‐Mi Hur, Ji Young Park, Chawon Koh, Tsunehiro Nishi, Hyun‐Woo Kim   +18 more
wiley   +1 more source

ArkDTA: attention regularization guided by non-covalent interactions for explainable drug-target binding affinity prediction. [PDF]

Bioinformatics, 2023
Gim M, Choe J, Baek S, Park J, Lee C, Ju M, Lee S, Kang J.   +7 more
europepmc   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Identification of MDH as a herbicidal protein target of botanical D-pinitol in Amaranthus retroflexus L.

Industrial Crops and Products
Natural products constitute a significant reservoir for novel pesticide development. D-pinitol ((1 R,2S,3r,4 R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol), a compound exhibiting robust herbicidal activity, has been isolated from Sapindus mukorossi leaf
Mingyu Wang, Caixia Wang, Yaxin Li, Hualong Yu, Jingao Dong, Lihui Zhang, Shujie Ma   +6 more
doaj   +1 more source

MFR-DTA: a multi-functional and robust model for predicting drug-target binding affinity and region. [PDF]

Bioinformatics, 2023
Hua Y, Song X, Feng Z, Wu X.
europepmc   +1 more source

Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation

Advanced Functional Materials, EarlyView.
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv, Guixia Fan, Yun Bai, Guosheng Li, Peng Li, Wenjihao Hu, Yijun Cao, Wenshuai Yang, Daoguang Teng, Hongbo Zeng   +9 more
wiley   +1 more source

Role of CSF1R 550th-tryptophan in kusunokinin and CSF1R inhibitor binding and ligand-induced structural effect

Scientific Reports
Binding affinity is an important factor in drug design to improve drug-target selectivity and specificity. In this study, in silico techniques based on molecular docking followed by molecular dynamics (MD) simulations were utilized to identify the key ...
Chompunud Chompunud Na Ayudhya, Potchanapond Graidist, Varomyalin Tipmanee   +2 more
doaj   +1 more source

NHGNN-DTA: a node-adaptive hybrid graph neural network for interpretable drug-target binding affinity prediction. [PDF]

Bioinformatics, 2023
He H, Chen G, Chen CY.
europepmc   +1 more source