Results 191 to 200 of about 12,803,330 (349)

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

A cost-effectiveness analysis of breast cancer treatment in certified versus non-certified hospitals in Germany. [PDF]

Int J Cancer
Lwin MW, Schoffer O, Streissnig C, Wimberger P, Gerken M, Bierbaum V, Bobeth C, Rößler M, Dröge P, Ruhnke T, Günster C, Tol KK, Link T, Scharl A, Sturm-Inwald EC, Kast K, Papathemelis T, Ortmann O, Klinkhammer-Schalke M, Schmitt J, Schlander M.   +20 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

Stability of Lending Rate Stickiness: A Case Study of India

The paper postulates that in an environment of continuous financial reforms, the lending rate stickiness in an economy could be changing over the period. The financial reforms (of which deregulation of interest rates formed a major part) during the 1990s
Bhattacharya, Kaushik, Singh, Balwant, Sastry, D. V. S.   +2 more
core  

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

OPTIMAL STEADY STATES AND THE EFFECTS OF DISCOUNTING

A simple expression for finding and characterizing the optimal steady state of a general dynamic optimization problem is derived. This expression is easy to interpret and easy to apply for various purposes as, for example, to analytically investigate the
Sandal, Leif K., Steinshamn, Stein Ivar
core  

Advanced Multiscale Modeling for Revealing Anomalous Fluid Transport Induced by Confinement Interfacial Layer Reconstruction in Sub‐10 nm Space

Advanced Science, EarlyView.
Integrating experimental insights with molecular dynamics simulations, we establish an advanced mathematical model for fluids confined in sub‐10‐nm channels, enabling quantitative prediction of interfacial layer thickness and viscosity by accounting for channel material, temperature, and fluid properties.
Xiang Zhang, Bing Wei, Jingyi Wang, Runnan Wu   +3 more
wiley   +1 more source

Decoding Spatial Heterogeneity and Multi‐Omics Regulation with Hierarchical Graph Learning

Advanced Science, EarlyView.
ABSTRACT Recent advances in spatial multi‐omics technologies have enabled the simultaneous profiling of multiple molecular layers within the same tissue slice, providing unprecedented opportunities to investigate tissue spatial organization. However, most existing computational methods identify spatial domains in a purely data‐driven manner, rarely ...
Jiazhou Chen, Jiahui Xie, Yi Liao, Junyu Li, Longqi Liu, Xin Gao, Hongmin Cai   +6 more
wiley   +1 more source

Dataset from the life cycle assessment and techno-economic analysis of net and longline nearshore <i>Saccharina latissima</i> cultivation systems. [PDF]

Data Brief
Sainz de la Maza Larrea A, Chakraborty M, Boderskov T, Nielsen MM, Bruhn A, Thomsen M.   +5 more
europepmc   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source