Results 221 to 230 of about 7,717,990 (282)

Porous Transducers and Hybrid Recognition for Bulky Nitrosamine Impurities: Toward 3D-MXene-Aptamer Detection of Tricyclic NDSRIs. [PDF]

Biosensors (Basel)
Shah T, Patel A, Shah J, Shah D.
europepmc   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

The Hidden Cost of QTc Assessment: A Quantitative Weight of Evidence Framework to Eliminate Structural False Positives and Restore the Lost Opportunity Cost of Abandoned Medicines. [PDF]

Clin Pharmacol Ther
Abernathy MM, Benson CT, Leishman DJ.
europepmc   +1 more source

A Microenvironment‐Adaptive Scaffold Rejuvenates Peripheral Nerve Regeneration During Aging Via Dual Modulation of Ferroptotic Stimuli in Schwann Cells

Advanced Science, EarlyView.
(i) Aging impairs peripheral nerve regeneration via its dual ferroptosis‐mediated pathologies in senescent schwann cells. (ii) The composite nerve conduit is a symbiosis niche integrating microenvironment‐responsive nanoparticles (Ga‐PTAs) and maxillofacial‐derived mesenchymal stem cells (Mmscs).
Ning Zhan, Lixin Tian, Lianjie Peng, Jingyu Zhang, Lining Lin, Xiaoting Zhang, Yaxian Luo, Zhichao Liu, Xinhua Yao, Mouyuan Sun, Yong He, Mengfei Yu, Huiming Wang   +12 more
wiley   +1 more source

The Advantages of AI for Computational Protein Studies and Looking Ahead at the Next Challenges: Single Structures Are Not Enough. [PDF]

J Mol Biol
Bk P, Chen SJ, Dima R, Hassan M, Joachimiak A, Kihara D, Kloczkowski A, Law J, Liwo A, Meller J, Micheletti C, Minor W, Montelione GT, Rackovsky S, Scaramozzino D, Senda M, Senda T, Skolnick J, Stan G, Vakser IA, Wang J, Zou X, Jernigan RL.   +22 more
europepmc   +1 more source

From weak adsorption to selective detection: functionalized interfaces for SERS glucose sensing. [PDF]

RSC Adv
Nguyen HA, Loan NT, Nguyet Nga DT, Hanh Trang DT, Phan VN, Le AT.   +5 more
europepmc   +1 more source

Closed-Loop Multi-Objective Optimization for Receptor-Selective Cell-Penetrating Peptide Design. [PDF]

J Chem Inf Model
Yamahata I, Yokoo H, Demizu Y, Shimamura T, Hayashi S.   +4 more
europepmc   +1 more source

Deep learning uncovers hidden power of low-affinity motifs. [PDF]

Cell Genom
Bower G, Kvon EZ.
europepmc   +1 more source

From chemistry to cognition: the adaptive origins of consciousness under constraint. [PDF]

Front Neurosci
Stibel J.
europepmc   +1 more source