Functional (re)annotation of Mycobacteroides abscessus proteome using integrative sequence and AI-based structural approaches [0.03%]
利用集成序列和基于AI的结构方法对胞饮分支菌脓肿亚种蛋白质组进行功能(重新)注释
Pranavathiyani Gnanasekar,Simran Gambhir,Priyadarshan Kinatukara et al.
Pranavathiyani Gnanasekar et al.
Functional annotation of proteins is crucial in understanding the basic biology of organisms. In the context of pathogens, it can provide valuable insights towards its functional landscape contributing to understanding the molecular mechani...
Conformational changes induced by K949A mutation in the CRISPR-Cas12a complex drives an effective target-binding mechanism [0.03%]
CRISPR-Cas12a复合物中的K949A突变诱导的构象变化驱动了有效的靶标结合机制
Pragya Kesarwani,Durai Sundar
Pragya Kesarwani
The CRISPR/Cas system is a potential tool for genome editing, yet it faces challenges due to off-target activity caused by mismatches at specific positions. However, Off-target activity can be minimized by optimal design of guide RNA (gRNA)...
Jiaan Yang,Wenxin Ji,Wen Xiang Cheng et al.
Jiaan Yang et al.
The folding conformation of native protein has flexibility in different degrees, which may bring difficulty in presenting the structures, and also it causes complexity in understanding the relationship between structure and functions. Altho...
Screening, docking, and molecular dynamics analysis of Mitragyna speciosa (Korth.) compounds for targeting HER2 in breast cancer [0.03%]
筛选、对接及分子动力学分析 kratom（柯拉育林）中的化合物以针对乳腺癌HER2靶点
Nabila Hadiah Akbar,Farendina Suarantika,Taufik Muhammad Fakih et al.
Nabila Hadiah Akbar et al.
Breast cancer remains the most commonly diagnosed cancer among women worldwide, with approximately 2.3 million new cases reported in 2022. In the United States alone, an estimated 310,720 new cases of female breast cancer are expected in 20...
Evaluation of the structural models of the human reference proteome: AlphaFold2 versus ESMFold [0.03%]
人类参考蛋白质组结构模型的评估：AlphaFold2与ESMFold比较
Matteo Manfredi,Castrense Savojardo,Pier Luigi Martelli et al.
Matteo Manfredi et al.
The human reference proteome is routinely modelled with predictive tools such as AlphaFold2. We recently released a database in which, for each human protein, the AlphaFold2 model is paired with its ESMFold counterpart. The two predictive m...
The structural basis of the G protein-coupled receptor and ion channel axis [0.03%]
G蛋白偶联受体和离子通道轴的结构基础
Yulin Luo,Liping Sun,Yao Peng
Yulin Luo
Sensory neurons play an essential role in recognizing and responding to detrimental, irritating, and inflammatory stimuli from our surroundings, such as pain, itch, cough, and neurogenic inflammation. The transduction of these physiological...
AI-based quality assessment methods for protein structure models from cryo-EM [0.03%]
基于人工智能的冷冻电镜蛋白质结构模型质量评估方法
Han Zhu,Genki Terashi,Farhanaz Farheen et al.
Han Zhu et al.
Cryogenic electron microscopy (cryo-EM) has revolutionized structural biology, with an increasing number of structures being determined by cryo-EM each year, many at higher resolutions. However, challenges remain in accurately interpreting ...
In silico approaches for developing sesquiterpene derivatives as antagonists of human nicotinic acetylcholine receptors (nAChRs) for nicotine addiction treatment [0.03%]
用于治疗尼古丁成瘾的半合成倍半萜类衍生物作为人烟碱性胆碱乙酰转移酶受体(nAChRs)拮抗剂的计算机辅助开发方法学研究
Taufik Muhammad Fakih,Aden Dhana Rizkita,Sintia Ayu Dewi et al.
Taufik Muhammad Fakih et al.
Cinnamomum, a genus within the Lauraceae family, has gained global recognition due to its wide-ranging utility. Extensive research has been dedicated to exploring its phytochemical composition and pharmacological effects. Notably, the uniqu...
An easy-to-use three-dimensional protein-structure-prediction online platform "DPL3D" based on deep learning algorithms [0.03%]
一种基于深度学习算法的易于使用的三维蛋白质结构预测在线平台“DPL3D”
Yunlong Gao,He Wang,Jiapeng Zhou et al.
Yunlong Gao et al.
The change in the three-dimensional (3D) structure of a protein can affect its own function or interaction with other protein(s), which may lead to disease(s). Gene mutations, especially missense mutations, are the main cause of changes in ...
Pathogenic single nucleotide polymorphisms in RhoA gene: Insights into structural and functional impacts on RhoA-PLD1 interaction through molecular dynamics simulation [0.03%]
RhoA基因致病性单核苷酸多态性的结构功能研究及其对RhoA-PLD1相互作用的影响：基于分子动力学模拟的洞察
Mahbub Hasan,Md Nayem Sarker,Tazkia Jabin et al.
Mahbub Hasan et al.
Molecular switches serve as key regulators of biological systems by acting as one of the crucial driving forces in the initiation of signal transduction pathway cascades. The Ras homolog gene family member A (RhoA) is one of the molecular s...