Results 201 to 210 of about 497,884 (333)

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

Large discrepancies in dominant microphysical processes governing mixed-phase clouds across climate models. [PDF]

NPJ Clim Atmos Sci
Frostenberg HC, Costa-Surós M, Georgakaki P, Proske U, Sotiropoulou G, May E, Neubauer D, Eriksson P, Gonçalves Ageitos M, Nenes A, Pérez García-Pando C, Seland Ø, Ickes L.   +12 more
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

Parameterization of cell-free systems with time-series data using KETCHUP. [PDF]

PLoS Comput Biol
Hu M, Hu M, Jilani SB, Olson DG, Maranas CD.   +4 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

Phosphate scarcity governs methane production in the global open ocean. [PDF]

Proc Natl Acad Sci U S A
Wang S, Xu H, Weber TS.
europepmc   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Geometry of Statistical Manifolds. [PDF]

Entropy (Basel)
Vos PW.
europepmc   +1 more source

A Worm‐Inspired Origami Robot with Multimodal Locomotion for Adaptive Mobility in Complex Pipeline Environments

Advanced Science, EarlyView.
An origami worm‐inspired robot achieves multimodal locomotion in confined pipelines through mechatronic integration that embeds actuation, control, and communication within each origami module. Large, reversible configuration and dimensional changes enable 25 gaits synthesized by a unified framework across peristaltic, inchworm, and wheel‐rolling modes
Qiwei Zhang, Kangning Tan, Zihan He, Hongsen Pang, Yanjie Wang, Hongbin Fang, Jian Xu   +6 more
wiley   +1 more source

MateR: a novel genomic mating framework. [PDF]

Genetics
Fernández-González J, Metwally SM, Isidro Y Sánchez J.   +2 more
europepmc   +1 more source