Results 191 to 200 of about 51,150 (307)

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

Estimation of the characteristics of wave propagation in the water pipe using continuous wavelet transform. [PDF]

Sci Rep
Lu P, Chen S, Cui D, He Y.
europepmc   +1 more source

A High‐Throughput Live Imaging Platform to Investigate Circuit‐Dependent Regulation of Circadian Rhythms in Brain Tissue

Advanced Science, EarlyView.
Biological rhythms coordinate physiology, from genes to behavior. Study of circadian rhythms in brain tissue is constrained by limited throughput and spatial and temporal information quality. A new platform for high‐throughput, long‐term multiplexed fluorescent live imaging of circadian rhythms in brain slices is introduced.
Marco Ferrari, Natalie Ness, Julieta Acosta, Marco Brancaccio   +3 more
wiley   +1 more source

Study on stress response and collapse mechanism induced by shallow-buried defective pipelines in river alluvial plains. [PDF]

Sci Rep
Zhu Q, Shen Y, Han C, Wu G, Li Y.
europepmc   +1 more source

Organoid Brain‐Machine‐Interface Devices for Central Nervous System Repair

Advanced Science, EarlyView.
We envision organoid brain‐machine‐interface (Organoid‐BMI) devices as new biohybrid bidirectional communication pathways to connect the human CNS and the external world for personalized CNS repair and regeneration. ABSTRACT Central nervous system (CNS) repair and regeneration suffer from tremendous clinical challenges due to current limitations in ...
Yantao Xing, Yang Yang, Zichen Hong, Chunhui Tian, Huiyu Chu, Susanne Clara Prokop, Hongwei Cai, Mingxia Gu, Jason Tchieu, Ken Mackie, Feng Guo   +10 more
wiley   +1 more source

NAStructuralDB : structural database to facilitate computational studies of molecular modeling and recognition of proteins with special focus on antibody-antigen interactions. [PDF]

MAbs
Chomicz D, Dudzic P, Wrobel S, Gawlowski T, Demharter S, Spreafico R, Minoux H, Phillips A, Krawczyk K.   +8 more
europepmc   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Mechanical performance of buried pipe under traffic load-internal pressure coupling action: Experimental and numerical study. [PDF]

PLoS One
Shan C, Li W.
europepmc   +1 more source

Engineering Neuronal Network Connectivity Through Precise and Scalable Electrical Modulation

Advanced Science, EarlyView.
This study presents a scalable all‐electrical method for precise neuronal‐circuit reconfiguration based on high‐density microelectrode arrays. By employing biologically inspired plasticity rules, targeted connectivity changes were successfully induced and quantified across diverse neuronal preparations.
Sreedhar S. Kumar, Yannaël Bossard, Rachel Sava, Tobias Gänswein, Lorenca Sadiraj, Jean‐Samuel Dupré, Manuel Schröter, J. Gray Camp, Fernando Cardes, Julian Bartram, Andreas Hierlemann   +10 more
wiley   +1 more source

Optimized seismic risk mitigation in pipeline routing using a metaheuristic GIS based approach. [PDF]

Sci Rep
Alavi SH, Mashayekhi M, Zolfaghari M.
europepmc   +1 more source