Results 231 to 240 of about 326,099 (315)

QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures. [PDF]

J Chem Inf Model
Kastner DW, Luo W, Ho W, Reinhardt CR, Keys A, Kulik HJ.   +5 more
europepmc   +1 more source

Discriminator‐Guided Inverse Folding for Multi‐Property Protein Design

Advanced Science, EarlyView.
Discriminator‐Guided Inverse Folding (DGIF) integrates multiple property predictors trained from single‐property datasets to guide protein sequence generation from a backbone structure. DGIF enables simultaneous improvement of thermostability and solubility without requiring multi‐property annotated datasets and generates designs that move toward the ...
Yuchuan Zheng, Chuyi Liu, Zhaoming Liu, Mao Su, Chenyu Tang, Xiang Zheng, Hao Zhang, Jingyuan Li   +7 more
wiley   +1 more source

Structural insights into the recruitment of viral type 2 IRES to ribosomal preinitiation complex for protein synthesis. [PDF]

Elife
Das D, Hussain T.
europepmc   +1 more source

Robust Amorphous MOF‐Based Aerogels Digital Biosensor for Sensitive Detection of Organophosphate Pesticides

Advanced Science, EarlyView.
We report a robust aerogel digital biosensor by integrating an enzyme‐mediated amorphous MOF within an aerogel matrix for on‐site pesticide detection. The enzyme‐mediated assembly strategy enables in situ tailoring of MOF into a porous amorphous structure, achieving both high stability and activity.
Changshun Su, Xiangyu Zhai, Houru Li, Yijie Wang, Hongxia Li, Yueyao Jiang, Geyu Lu, Xu Yan   +7 more
wiley   +1 more source

Antibacterial Activity and Molecular Docking Studies of Black Cumin (<i>Nigella sativa</i> L.) Oil and Its Comparison with Some Antibiotics. [PDF]

Int J Mol Sci
Kanıcı Tarhane A, Zeyrek CT, Tarhane S, Sert M, Filazi İ, Büyük F, Sirka L, Salduz Ç.   +7 more
europepmc   +1 more source

Mechanistic Understanding of Protein–MOF Integration Through Surfactant‐Driven Interfacial Design

Advanced Science, EarlyView.
This study reveals how surfactant‐driven interfacial design governs the assembly and stability of protein@MOF composites. Using lipid‐based nonionic surfactants, we modulate protein–MOF interactions to improve encapsulation efficiency, MOF crystallization, and catalytic performance.
Ehsan Rashidniyaghi, Mohammad Khavani, Carlie Coerver, Ruibin Liang, Raheleh Ravanfar   +4 more
wiley   +1 more source

Comment on Photosystem II: light-dependent oscillation of ligand composition at its active site: existence of O6 in S₃-state photosystem II revealed by omit maps. [PDF]

Acta Crystallogr D Struct Biol
Li H, Suga M, Shen JR.
europepmc   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +1 more source

DockingDB: An online reverse-docking database for plant hormone research. [PDF]

Plant Commun
Guo YX, Liu F, Xu XD, Xu G, Ye SY, Shao YH, Kong Y, Su Z, Zhao Q, Fu Q, Ma J, Song JM, Cai W, Ming Z, Chen LL.   +14 more
europepmc   +1 more source

Allosteric Inhibition of Polycomb Repressive Complex 2 by an EZH2‐Selective Small Molecule Inhibitor

Advanced Science, EarlyView.
The study characterizes C36, a highly selective EZH2/PRC2 inhibitor that acts via a novel allosteric mechanism. Unlike previous inhibitors, C36 inhibits EZH2/PRC2 by disrupting the allosteric communication between EZH2 and EED in a SAM‐noncompetitive manner.
Ting Cao, Dongdong Liu, Haishan Gao, Chenyang Qin, Wen Zhang, Ziyun Lu, Dongxia Tan, Yuxiu Qu, Yusong Liu, Zhiran Zou, Hongtao Yu, Wei Qi   +11 more
wiley   +1 more source