Target engagement in bacterial and protozoan pathogens: in vitro and cellular assays for drug discovery [0.03%]
细菌和原生动物病原体的作用靶点研究：药物发现的体外及细胞水平测定方法
Priscila Z Ramos,Carolina M C Catta-Preta,Rafael M Couñago
Priscila Z Ramos
Target engagement (TE) assays are essential for confirming on-target activity, guiding medicinal chemistry, and linking molecular interactions to phenotypic outcomes. Despite their success in human drug discovery, their application to bacte...
Richard G Held
Richard G Held
The unrealized goal of cryo-electron tomography (cryo-ET) is to visualize every protein within its cellular context. Such capability would enable molecular resolution mapping of three-dimensional protein topography and structure determinati...
Kedar Sharma,Mario J Borgnia
Kedar Sharma
Cryo-electron microscopy has become the preferred method for determining structures of macromolecular complexes both in isolation, using single particle analysis, and in their cellular contexts, using cryo-electron tomography (Cryo-ET) comb...
Recent advances in artificial intelligence-driven biomolecular dynamics simulations based on machine learning force fields [0.03%]
基于机器学习力场的智能驱动生物分子动力学模拟研究进展
Taoyong Cui,Yutao Zhou,Tong Wang
Taoyong Cui
Molecular dynamics simulations are crucial for investigating biomolecular mechanisms. The success of these simulations hinges on the accuracy, efficiency, and generalizability of the underlying force field. While classical molecular force f...
Adam W Smith,Francisco N Barrera
Adam W Smith
Receptor tyrosine kinases (RTKs) control myriads of cellular functions. RTKs are paradigmatic examples of receptors where activity is directly dependent on quaternary structure. In most cases, the monomeric RTK is inactive, and function ari...
Strategies for studying discrete heterogeneity in situ using cryo-electron tomography [0.03%]
利用冷冻电子断层扫描技术就地研究离散异质性的策略
Alberto Bartesaghi
Alberto Bartesaghi
Structural variability plays a crucial role in enabling biological function, as the ability of proteins to adopt multiple conformations allows them to perform diverse cellular tasks. Cryo-electron tomography combined with subtomogram averag...
Editorial overview [0.03%]
编者按
Hoi Sung Chung,Francesca M Marassi
Hoi Sung Chung
Editorial overview: Protein-nucleic acid interactions: From origins to design [0.03%]
综述：蛋白质-核酸相互作用：从起源到设计
Elodie Laine,Shandar Ahmad
Elodie Laine
Allosteric modulation of Class B1 G protein-coupled receptor activation and signaling location in the cell [0.03%]
B类G蛋白偶联受体活化和细胞内信号转导的别构调节
Jean-Pierre Vilardaga,Satyaki Saha,Ji Young Lee et al.
Jean-Pierre Vilardaga et al.
It is now widely accepted that allosteric signaling is beyond signal transmission to, or conformational change triggered at, a distal point within a structure; it also affects different cellular pathways and functions depending on the speci...
Allosteric solution to the problems of undruggable targets, drug toxicity, and emerging resistance [0.03%]
allosteric解决方案解决难以成药靶点、药物毒性以及耐药性问题
Wei-Ven Tee,Igor N Berezovsky
Wei-Ven Tee
Though allostery is a well-established research field, its importance for biomedical applications, spanning from the allosteric effects of mutations in diagnostics to the design of innovative allosteric drugs, is yet to be fully appreciated...