Results 211 to 220 of about 91,294 (309)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

On the type II exponentiated half-logistic exponential distribution with applications to hydrological and financial data. [PDF]

Sci Rep
Obulezi OJ, Abdalla GSS, Orji GO, Khanday MA, Okechukwu CP, Almetwally EM, Hydara A, Elgarhy M.   +7 more
europepmc   +1 more source

Giant Conductivity Modulation and Chemical Neuromodulation via Proton‐Electron Coupling in a Hydrogen‐Bonded Coordination Polymer

Advanced Science, EarlyView.
A “de‐doping” strategy positions mixed protonic–electronic conductors (MPECs) as adaptive neuromorphic platforms with dynamically tunable transport. Co‐BAND achieves giant conductivity modulation (>106) and chemically tunable synaptic plasticity. Analogous to biological neuromodulation, solvent vapors dynamically reprogram the device's learning rules ...
Kwangmin Park, Jumin Park, Huiyeong Ju, Nasim Arafat, Byoung Gwan Lee, Joohee Oh, Eejin Jang, Hyunseob Lim, Seok Min Yoon, Dae‐Woon Lim, Intek Song   +10 more
wiley   +1 more source

Oxidative Stress, DNA Damage, DNA Repair Inhibition, and Apoptosis Induced by Lead and Cadmium Combined Exposure in TK6 Cells. [PDF]

Toxics
Liu X, Han Z, Han K, Pang Y, Zhao X, Wang Y, Wu X, Wang T.   +7 more
europepmc   +1 more source

A Novel Approach Based on Acceptor–Donor–Acceptor Type Molecules Enhances the Therapeutic Efficacy and Safety of Photothermal Therapy for Osteosarcoma

Advanced Science, EarlyView.
Jin et al. developed IEICO‐F nanoparticles with enhanced photothermal conversion efficiency via optimized push‐pull effect. Under 808 nm laser, these nanoparticles effectively generated heat to kill osteosarcoma cells and exhibited significant tumor suppression in vivo. Therefore, this novel A‐D‐A type molecule‐based photothermal therapy strategy holds
Zhijian Jin, Hongru Wang, Yi Yang, Yuhang Xie, Yuan Zhang, Zhiye Du, Yi Huang, Wei Guo, Yang Li, Shidong Wang   +9 more
wiley   +1 more source

A protein surface-aware multimodal framework for residue-level metal-binding site recognition. [PDF]

Cell Rep Methods
Shao B, Li P, Liu ZP.
europepmc   +1 more source

Cryo-EM structure of shutdown human nonmuscle myosin 2A. [PDF]

Sci Adv
Casas-Mao D, Carrington G, Peckham M.
europepmc   +2 more sources

A New Customizable Surfactant LLPS Strategy for Sustainable and Highly Efficient Radioactive Metal Ion Separation

Advanced Science, EarlyView.
A diluent‐free, customizable liquid–liquid phase separation (LLPS) platform enables highly efficient radioactive metal ion extraction and stripping. By encapsulating hydrophobic extractants into an ionic surfactant‐rich condensed phase, this LLPS system leverages synergistic electrostatic and coordination interactions.
Ruihan Yan, Yifu Hu, Wentao Wang, Zhi Cao, Meiwen Cao, Weifang Zheng, Guoan Ye, Taihong Yan   +7 more
wiley   +1 more source

Extreme-range precipitation probability across global weather systems. [PDF]

Sci Adv
Duan SQ, Tsai WM, Ahmed F, Neelin JD.
europepmc   +1 more source

Suppressed Auger Heating of Hot Carriers in Cu‐Doped Colloidal Quantum Wells

Advanced Science, EarlyView.
ABSTRACT Auger heating represents a major bottleneck for hot carrier (HC) relaxation in colloidal quantum wells (CQWs), delaying carrier accumulation in band‐edge states and diminishing performance in light‐emitting applications. To address this issue, we introduce copper doping in CdSe CQWs to create midgap states, which efficiently suppresses Auger ...
Junhong Yu, Ke Wang, Yadong Han, Zhenzhong Lian, Songyan Hou, Hilmi Volkan Demir, Manoj Sharma   +6 more
wiley   +1 more source