Results 221 to 230 of about 5,773,364 (265)

Deep docking, part 2: an amplified DDU platform for ultra-large virtual screening. [PDF]

Chem Sci
Pandey M, Sajed T, Semenov I, Zhang R, Ban F, Manskaia E, Ester M, Cherkasov A.   +7 more
europepmc   +1 more source

Machine Learning‐Driven Design of Multicomponent Bone Inorganic Matrix Mimicking Scaffolds for Osteogenesis Enhanced by Neurogenesis

Advanced Science, EarlyView.
Schematic illustration of development of experimental datasets and algorithm models, screening and preparation of the scaffolds and their applications in vivo. ABSTRACT Bone defects require materials with osteogenic, neurogenic, and angiogenic activity, yet designing such materials within high‐dimensional compositional spaces remains challenging. Here,
Kunlu Lin, Ying Yang, Chuyao Zhou, Hanyue Mao, Zhiquan Zhang, Libangxi Liu, Xiaoying Yu, Haoming Liu, Long Liu, Xiaoyan Wang   +9 more
wiley   +1 more source

Docking-Based Virtual Screening Identifies a Small-Molecule Inhibitor of the Translesion Synthesis REV7/REV3 Protein-Protein Interaction. [PDF]

ChemMedChem
Harrahill NJ, Patel SM, Dash RC, Zaino AM, Gupta V, Geddes-Buehre DH, Brereton C, Rizzo AA, Chatterjee N, Korzhnev DM, Hadden MK.   +10 more
europepmc   +1 more source

F7 Drives Gastric Cancer Metastasis Through Anoikis Resistance and Tumor Microenvironment Remodeling

Advanced Science, EarlyView.
ABSTRACT Coagulation factor VII (F7) has been implicated in tumor progression; however, its role in gastric cancer metastasis and immune evasion remains incompletely understood. In this study, we identified F7 as a clinically relevant driver of gastric cancer.
Lei Gao, Qinying Han, Yunpeng Wang, Xuemei Li, Bofang Wang, Baohong Gu, Weidong Li, Lin Xiang, Ying Zhang, Hao Chen   +9 more
wiley   +1 more source

TRPM8 virtual screening: the essential role of target-specific, inactive-enriched machine-learning scoring functions.

Digit Discov
James N, Ballester PJ.
europepmc   +1 more source

Virtual Screening and Molecular Dynamics Simulations Identifying Natural Product-Derived Cathepsin K Inhibitors as Potential Therapeutics for Osteoporosis. [PDF]

Int J Mol Sci
Tarathipayakul T, Ravikumar Y, Srichairatanakool P, Khowsathit J, Srichairatanakool S.   +4 more
europepmc   +1 more source

EP300‐Mediated MTF1‐K218 Lactylation Buffers AR‐Driven Copper Overload to Suppress Cuproptosis in Castration‐Resistant Prostate Cancer

Advanced Science, EarlyView.
Androgen receptor (AR) drives copper accumulation in prostate cancer while inducing MTF1 to buffer copper toxicity. EP300‐mediated lactylation of MTF1 at K218 promotes its nuclear translocation and metallothionein expression, sequestering cytosolic copper and preventing mitochondrial cuproptosis.
Kai Li, Yong Wei, Yongshan Li, Yuxiang Dong, Jiancheng Lv, Mingzhi Yuan, Ao Shen, Fuyang Liu, Yetao Zhang, Youjian Li, Ruixi Yu, Yang Liu, Tong Zhao, Jun Wang, Kai Zhou, Zongyao Fan, Manning Wang, Jun Xu, Mulong Du, Min Gu, Bing Yao, Qingyi Zhu   +21 more
wiley   +1 more source

Target-driven machine learning-enabled virtual screening (TAME-VS) enables prioritization of AKR1C3 inhibitors. [PDF]

Commun Chem
Qiao L, Li X, Xing S, Guan Q, Ning K, Han W, Zhang L, Dai A, Yang W, Liu Y, Kwon JJ, Gao X, Sun H, Bian Y.   +13 more
europepmc   +1 more source

Neuromorphic Devices and Computing for Sensing, Memory, and Control

Advanced Science, EarlyView.
This review introduces neuromorphic devices made from diverse materials. These devices mimic neuronal functions and architectures and, when integrated with artificial or biological computing, can form closed loops with neurons for pressure, optical, acoustic, and biochemical sensing and modulation.
Zhengguang Zhu, Nicholas Schaffer, Xiao Yang   +2 more
wiley   +1 more source