Results 111 to 120 of about 13,561 (205)

Systematically Engineering for Efficient Production of 3‐Methyl‐1‐Butanol in Escherichia coli

Advanced Science, EarlyView.
An integrated metabolic engineering strategy was established for high‐level 3‐methyl‐1‐butanol biosynthesis in Escherichia coli. Molecular dynamics‐guided semi‐rational engineering of dihydroxyacid dehydratase uncovered and relieved key catalytic bottlenecks, while adaptive laboratory evolution enhanced strain robustness.
Nanfei Geng, Hao Liu, Haolin Han, Meng Meng, Shaojie Wang, Tianwei Tan, Haijia Su   +6 more
wiley   +1 more source

In Silico Investigation of Amidine-Based BACE-1 Inhibitors Against Alzheimer's Disease: SAR, Pharmacokinetics, Molecular Docking and Dynamic Simulations. [PDF]

Pharmaceuticals (Basel)
Gandhi V, Dewaker V, Agarwal U, Patil VM, Park ST, Kim HS, Verma S.   +6 more
europepmc   +1 more source

SpatialESD: Spatial Ensemble Domain Detection in Spatial Transcriptomics

Advanced Science, EarlyView.
ABSTRACT Spatial transcriptomics (ST) measures gene expression while preserving spatial context within tissues. One of the key tasks in ST analysis is spatial domain detection, which remains challenging due to the complex structure of ST data and the varying performance of individual clustering methods. To address this, we propose SpatialESD, a Spatial
Hongyan Cao, Gaiqin Liu, Jingyi Xia, Runle Chen, Tong Wang, Xiaoling Yang, Ruiling Fang, Yanhong Luo, Ping Zeng, Hongmei Yu, Yanbo Zhang, Yuehua Cui   +11 more
wiley   +1 more source

Bridged Azobenzene Exhibits Fully Reversible Photocontrolled Binding to a G‑Quadruplex DNA/Duplex Junction. [PDF]

JACS Au
Ramos-Soriano J, Jiang YJ, Deng B, O Hagan MP, Rao AG, Lu D, Haldar S, Oliveira ASF, Mulholland AJ, Galan MC.   +9 more
europepmc   +1 more source

Selectivity Filter Dynamics Define Ion Conductance and Selectivity Differences in CNG and HCN Channels

Advanced Science, EarlyView.
Cyclic nucleotide‐gated (CNG) and hyperpolarization‐activated cyclic nucleotide‐gated (HCN) channels share substantial sequence and structural similarity but differ markedly in ion conductance and K+ selectivity. Microsecond‐scale atomistic MD simulations qualitatively reproduced the conductance differences observed in single‐channel recordings and ...
Haoran Liu, Klaus Benndorf, Yessenbek K. Aldakul, Han Sun   +3 more
wiley   +1 more source

Marine fungal metabolites as antiviral agents: Computer-aided drug screening for selective inhibition of African swine fever virus dUTPase. [PDF]

Bioimpacts
Macalalad MAB, Orosco FL.
europepmc   +1 more source

Smart Energy–Harvesting Coating for Moisture–Droplets Based on Ionic Diodes and Transistor–Like Structures

Advanced Science, EarlyView.
A smart power‐generating coating is developed to harvest energy from both ambient humidity and impacting liquid droplets. The integrated system delivers sustained open‐circuit voltages of 0.85 V from moisture and up to 36 V from droplets. Its scalable coating architecture enables a continuous power supply for low‐power electronic devices.
Liang Ma, Mengdi Liu, Yuxi Yang, Zehao Wang, Lan Shi, Limin Wu   +5 more
wiley   +1 more source

Discovery of natural CdnP inhibitors through structure-based virtual screening and molecular dynamics simulations. [PDF]

Microbiol Spectr
Gu X, Xiong C, Wang X, Zhu H, Sun W, He Y, Zhang J.   +6 more
europepmc   +1 more source

Atomic Defects in Layered Transition Metal Dichalcogenides for Sustainable Energy Storage and the Intelligent Trends in Data Analytics

Advanced Science, EarlyView.
This review comprehensively summarizes the atomic defects in TMDs for their applications in sustainable energy storage devices, along with the latest progress in ML methodologies for high‐throughput TEM data analysis, offering insights on how ML‐empowered microscopy facilitates bridging structure–property correlation and inspires knowledge for precise ...
Zheng Luo, Ying Yang, Zizhen Fu, Fengqi Liu, Susu Fang, Kele Xu, Shanshan Wang   +6 more
wiley   +1 more source

Organocatalysed synthesis of <i>N</i>-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3(4<i>H</i>)-yl)isonicotinamide: computational, electrochemical, drug-likeness and antimicrobial studies. [PDF]

3 Biotech
Mane RR, Yaraguppi DA, Bagewadi ZK, Kamanna K.   +3 more
europepmc   +1 more source