In Silico Analysis of Human NEK10 Reveals Novel Domain Architecture and Protein-Protein Interactions [0.03%]
人类NEK10的计算机分析揭示了新的结构域架构和蛋白质-蛋白质相互作用
Andriele S Eichner,Nathaniel Zimmerman,Avdar San et al.
Andriele S Eichner et al.
Cancer is the second leading cause of death worldwide, with an estimated 27.5 million new cases projected by 2040. Disruptions in cell cycle control cause DNA replication errors to accumulate during cell growth, leading to genomic instabili...
Eric Westhof,Hao Sun,Fan Bu et al.
Eric Westhof et al.
RNA-Puzzles was launched in 2011 as a collaborative effort dedicated to advancing and improving RNA 3D structure prediction. The automatic evaluation protocols for comparisons between prediction and experiment developed within RNA-Puzzles a...
Andreas Tosstorff,Markus G Rudolph,Jörg Benz et al.
Andreas Tosstorff et al.
This paper presents the experimental protein-ligand datasets used as benchmarks in the CASP 16 blind prediction experiment-the first CASP round to incorporate targets from pharmaceutical discovery projects. We have assembled and characteriz...
Structural Basis for M2-2-MAVS Proteins Interaction in Human Metapneumovirus (HMPV): Exploring the Immune Evasion Mechanism Through Biomolecular Modeling, Structural Mutagenesis and Classical Simulations [0.03%]
人副流感病毒(MPV)的M2-2-MAVS蛋白相互作用的结构基础：通过生物分子建模、结构点突变和经典模拟来探索免疫逃逸机制
Fahad M Alshabrmi,Eid A Alatawi
Fahad M Alshabrmi
Human metapneumovirus (HMPV) was first discovered in the Netherlands in 2001 and is now considered one of the most important contributors to viral respiratory diseases. It is often asymptomatic in healthy adults but can cause serious illnes...
Molecular Dynamics Analysis of Inhibitor Binding Interactions in the Vibrio cholerae Respiratory Complex NQR [0.03%]
分子动力学分析振动弧菌呼吸复合物NQR的抑制剂结合机制
Joseph A DePaolo-Boisvert,Karina Tuz,David D L Minh et al.
Joseph A DePaolo-Boisvert et al.
The sodium-pumping ubiquinone oxidoreductase sodium pumping quinone reductase (NQR) is an important enzyme in the respiratory chain of multiple pathogenic gram-negative bacteria. NQR has been proposed as a viable antibiotic target due to it...
Beyond Single Chains: Benchmarking Macromolecular Complex Prediction Methods With the Continuous Automated Model EvaluatiOn (CAMEO) [0.03%]
超越单一链：使用连续自动化模型评估（CAMEO）基准比较宏分子复合物预测方法
Xavier Robin,Peter Škrinjar,Andrew M Waterhouse et al.
Xavier Robin et al.
Independent, blind assessment of structure prediction methods is essential for establishing state-of-the-art performance, identifying limitations, and guiding future developments. The Continuous Automated Model EvaluatiOn (CAMEO) platform p...
Alternative Conformation Prediction Using Deep Learning With Multi-MSA Strategy and Structural Clustering in CASP16 [0.03%]
CASP16基于深度学习和多MSA策略及结构聚类的构象预测
Qiqige Wuyun,Quancheng Liu,Wentao Ni et al.
Qiqige Wuyun et al.
We report the results from the "MIEnsembles-Server" and "Zheng" groups for structure ensemble predictions in CASP16, both of which employed the EnsembleFold pipeline. Initially, multiple sequence alignments (MSAs) were generated using DeepM...
Iterative Modeling via Structural Diffusion (IMSD): Exploring Fold-Switching Pathways in Metamorphic Proteins Using AlphaFold2-Based Generative Diffusion Model UFConf [0.03%]
基于AlphaFold2的生成扩散模型通过结构扩散迭代建模（IMSD）探索变性蛋白质中的折叠切换途径（UFConf）
Dmitrii A Luzik,Nikolai R Skrynnikov
Dmitrii A Luzik
Metamorphic proteins (MPs) can fold into two or more distinct spatial structures. Increasing interest in MPs has spurred the search for computational tools to predict proteins fold-switching potential and model their refolding pathways. Her...
Docking With Rosetta and Deep Learning Approaches in CAPRI Rounds 47-55 [0.03%]
CAPRI Rounds 47-55中的对接：罗塞塔和深度学习方法
Ameya Harmalkar,Lee-Shin Chu,Samuel W Canner et al.
Ameya Harmalkar et al.
Critical Assessment of PRediction of Interactions (CAPRI) rounds 47 through 55 introduced 49 targets comprising multistage assemblies, antibody-antigen complexes, and flexible interfaces. For these rounds, we combined various Rosetta dockin...
Metal-Coordination Specificity and Structural Dynamics of C. elegans Metallothionein I: Insights From 3D Modeling and MD Simulations [0.03%]
基于三维建模和分子动力学模拟的线虫金属硫蛋白I的金属配位特异性和结构动态学研究
Nilvea Ramalho de Oliveira,Andrei Santos Siqueira,Paulo Sérgio Alves Bueno et al.
Nilvea Ramalho de Oliveira et al.
Metallothioneins (MTLs) are small, cysteine-rich proteins known for their ability to bind metal ions and exhibit flexible, disordered structures. The structural and functional characteristics of metallothionein I (MTL-1) from Caenorhabditis...