Axel T Brunger,Gabriel A Frank
Axel T Brunger
Editorial overview: Exploring protein conformational landscapes for catalysis in the beginning of the artificial intelligence era [0.03%]
综述：人工智能时代之初用于催化作用的蛋白质构象研究概述
Matthias Buck,Monika Fuxreiter
Matthias Buck
Deep learning-based postprocessing and model building for cryo-electron microscopy maps [0.03%]
基于深度学习的冷冻电子显微镜密度图后处理和模型构建方法
Tao Li,Sheng-You Huang
Tao Li
Cryo-electron microscopy (cryo-EM) has emerged as one of the most powerful techniques for determining the structures of biological macromolecules. The ultimate goal of cryo-EM is to determine the atomic structure of target molecules, where ...
Recent breakthroughs in understanding the allosteric features of Ras GTPases and their effector and regulatory protein interactions, enabling drug design [0.03%]
近期关于Ras GTP酶异构调节作用机制的重大突破及其效应蛋白和调控蛋白相互作用的药物设计能力提升的研究进展
Nisha Bhattarai,Matthias Buck
Nisha Bhattarai
Ras guaosine triphosphate hydrolase (GTPase) are central to key cell signaling pathways and, when mutated, drive many cancers. Thought to be undruggable, dramatic progress has been made in the last decade in the design and screening of drug...
Nastazia Lesgidou,Michail Papadourakis,Nishita Mandal et al.
Nastazia Lesgidou et al.
KRAS, a member of the RAS family of small GTPases, is frequently mutated in cancers and localizes to the inner leaflet of the plasma membrane, where it has been suggested to form dimers and higher-order oligomers (nanoclusters). These nanoc...
Hamidreza Ghafouri,Silvio C E Tosatto,Alexander Miguel Monzon
Hamidreza Ghafouri
Intrinsically disordered proteins (IDPs) play essential roles in regulation, signaling, and phase separation, yet their structural complexity cannot be captured by a single conformation. Instead, they populate dynamic ensembles that encode ...
Nicholas C Pinette,Mailyn Terrado,Jennifer M Bui et al.
Nicholas C Pinette et al.
Biomolecular condensates formed through protein phase separation are critical for cellular organization and regulation. Recent years have seen rapid growth in computational methods predicting proteins' phase separation propensity and conden...
Daria Gusew,Carl G Henning Hansen,Kresten Lindorff-Larsen
Daria Gusew
Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with invalu...
Resolving structural heterogeneity in situ through cryogenic electron tomography [0.03%]
基于cryo-ET的技术来原位解析结构异质性
Jackson Carrion,Joseph H Davis
Jackson Carrion
Cryogenic electron tomography (cryoET) has emerged as a powerful tool for studying the structural heterogeneity of proteins and their complexes, offering insights into macromolecular dynamics directly within cells. Driven by recent computat...
Recent advances in machine learning predictions of protein-ligand binding affinities [0.03%]
机器学习预测蛋白质-配体结合亲和力的最新进展
Jian Jiang,Daixin Li,Guilin Wang et al.
Jian Jiang et al.
Accurately predicting protein-ligand binding affinities is a central task in rational drug design, as it directly influences hit discovery, lead optimization, and compound prioritization. Traditional approaches often suffer from limited acc...