Results 341 to 350 of about 1,638,503 (361)

Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics

Advanced Science, EarlyView.
Data‐driven inverse molecular design (IMD) is a promising approach to discovering new molecules with desired properties. Despite the remarkable progress, existing IMD methods lag behind in terms of trustworthiness, as indicated by their misalignment with the ground‐truth function that models the molecular dynamics.
Kevin Tirta Wijaya, Navid Ansari, Hans‐Peter Seidel, Vahid Babaei   +3 more
wiley   +1 more source

Diagnostic accuracy of non-invasive SARS-CoV-2 screening tests: a national prospective analysis. [PDF]

BMC Infect Dis
Althaus T, Blake A, Costantini A, Lavagna C, Jacquesson E, Groshenry G, Troel A, Vanzo B, Dejoux O, Raps H, Rampal P, Voiglio EJ.   +11 more
europepmc   +1 more source

Unveiling Multi‐Scale Architectural Features in Single‐Cell Hi‐C Data Using scCAFE

Advanced Science, EarlyView.
scCAFE is a deep learning framework designed to identify multi‐scale 3D genome architectural features from single‐cell Hi‐C data without dense imputation. It predicts chromatin loops, TAD‐like domains, and A/B compartments, enabling efficient characterization of organization at the single‐cell level. scCAFE also identifies marker loop anchors, offering
Fuzhou Wang, Jiecong Lin, Hamid Alinejad‐Rokny, Wenjing Ma, Lingkuan Meng, Lei Huang, Jixiang Yu, Nanjun Chen, Yuchen Wang, Zhongyu Yao, Weidun Xie, Ka‐Chun Wong, Xiangtao Li   +12 more
wiley   +1 more source

Intrinsic factors behind long COVID: exploring the role of nucleocapsid protein in thrombosis. [PDF]

PeerJ
Eltayeb A, Adilović M, Golzardi M, Hromić-Jahjefendić A, Rubio-Casillas A, Uversky VN, Redwan EM.   +6 more
europepmc   +1 more source

Zinc‐Doping‐Induced Electronic States Modulation of Molybdenum Carbide: Expediting Rate‐Determining Steps of Sulfur Conversion in Lithium‐Sulfur Batteries

Advanced Science, EarlyView.
Zn‐doped molybdenum carbide microflowers (Zn‐Mo2C) are exploited as a sulfur host for Li–S batteries. Zn doping elevates the d‐band center on Mo, enhancing LiPSs anchoring, weakening S─S/Li─S bonds, and reducing Li2S2→Li2S conversion energy barrier from 0.52 to 0.05 eV.
Bin Qin, Yanmei Li, Qun Wang, Si Zhang, Jinglin Zhang, Bin Wang, Peijia Wang, Yuhan Chen, Weiqi Yao, Fang Wang   +9 more
wiley   +1 more source

Development and internal validation of a depressive symptoms prediction model among the patients with cardiovascular disease who have recovered from SARS-CoV-2 infection in Wuhan, China: a cross-sectional study. [PDF]

BMC Psychiatry
Dai Z, Liu X, Jing S, Wang H, Huang Y, Fu J, Wu Y, Zhang L, Han B, Su X.   +9 more
europepmc   +1 more source

Bioorthogonal Reaction of o‐Quinone with Furan‐2(3H)‐One for Site‐Selective Tyrosine Conjugation and Construction of Bispecific Antibody Complexes

Advanced Science, EarlyView.
A site‐selective, efficient, and mild tyrosine conjugation via tyrosinase oxidation and nucleophilic addition, allowing for site‐selective functionalization of peptides, recombinant proteins, and IgGs. Site‐selective mono‐functionalization of IgGs at Y296 enables the construction of immunoliposomes.
Hongfei Chen, Zhiyi Xu, Yishu Bao, Farshad Shiri, Dingdong Yuan, Yuke Hu, Biquan Li, Bin Zeng, Xiaojing Li, Hao Kong, Zikang Wang, Wilson Chun‐Yu Lau, Zhenyang Lin, Jiang Xia   +13 more
wiley   +1 more source

XBB.1.5 RBD-Based Bivalent Vaccines Induced Antibody Responses Against SARS-CoV-2 Variants in Mice. [PDF]

Vaccines (Basel)
Liu J, Wang T, Ren H, Liu R, Wang Q, Wu J, Liu B.   +6 more
europepmc   +1 more source

Dual‐Locking the SARS‐CoV‐2 Spike Trimer: An Amphipathic Molecular “Bolt” Stabilizes Conserved Druggable Interfaces for Coronavirus Inhibition

Advanced Science, EarlyView.
A new amphipathic molecule, S416 is discovered, that locks the SARS‐CoV‐2 spike protein in its closed state, blocking viral entry. S416 acts as a molecular bolt, binding six sites: three between adjacent RBDs and three connecting NTDs to RBDs. This dual‐locking mechanism stiffens the spike structure and reduces its flexibility.
Shiliang Li, Fang Ye, Yucheng Zheng, Jie Wang, Haoran Peng, Lili Zhu, Lili Chen, Tao Yu, Huan Ge, Jiaqi He, Binghao Zhang, Jiayun Wu, Zhiyi Zhang, Liangliang Jiang, Geng Chen, Ping Zhao, Ke Lan, Zhenjiang Zhao, Xuhong Qian, Ke Xu, Yang Du, Honglin Li   +21 more
wiley   +1 more source