日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Correction to "Design of Tau Aggregation Inhibitors Using Iterative Machine Learning and a Polymorph-Specific Brain-Seeded Fibril Amplification Assay"

对“利用迭代机器学习和多晶型特异性脑种子纤维扩增分析设计Tau蛋白聚集抑制剂”一文的更正

Santambrogio, Alessia; Horne, Robert I; Metrick, Michael A 2nd; Gallagher, Nicholas C T; Brotzakis, Z Faidon; Rinauro, Dillon; Vourkou, Ergina; Papanikolopoulou, Katerina; Skoulakis, Efthimios M C; Linse, Sara; Caughey, Byron; Vendruscolo, Michele

Identification of potent high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using deep docking.

利用深度对接技术从超大型化学库中鉴定出Aβ42聚集的强效高亲和力二级成核抑制剂。

Brezinova Michaela, Brotzakis Z Faidon, Horne Robert I, Roy Chowdhury Vaidehi, Gregory Rebecca C, Bian Yuqi, González Díaz Alicia, Gentile Francesco, Vendruscolo Michele

AlphaFold prediction of structural ensembles of disordered proteins

AlphaFold对无序蛋白质结构集合的预测

Brotzakis, Z Faidon; Zhang, Shengyu; Murtada, Mhd Hussein; Vendruscolo, Michele

Design of Tau Aggregation Inhibitors Using Iterative Machine Learning and a Polymorph-Specific Brain-Seeded Fibril Amplification Assay

利用迭代机器学习和多晶型特异性脑种子纤维扩增试验设计Tau蛋白聚集抑制剂

Santambrogio, Alessia; Horne, Robert I; Metrick, Michael A 2nd; Gallagher, Nicholas C T; Brotzakis, Z Faidon; Rinauro, Dillon; Vourkou, Ergina; Papanikolopoulou, Katerina; Skoulakis, Efthimios M C; Linse, Sara; Caughey, Byron; Vendruscolo, Michele

Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments

脑源性Aβ42丝状体绒毛层与β交叉核心之间的瞬时相互作用

Milanesi, Maria; Brotzakis, Z Faidon; Vendruscolo, Michele

Small Molecules Targeting the Structural Dynamics of AR-V7 Partially Disordered Proteins Using Deep Ensemble Docking

利用深度系综对接技术靶向AR-V7部分无序蛋白的结构动力学的小分子

Karatzas, Pantelis; Brotzakis, Z Faidon; Sarimveis, Haralambos

Destabilization of Helix III Initiates Early Serum Amyloid A Misfolding by Exposing Its Amyloidogenic Core

螺旋III的不稳定化通过暴露其淀粉样蛋白原性核心,启动血清淀粉样蛋白A的早期错误折叠。

Nadwa, Haidara; Brotzakis, Z Faidon; Santucci, Annalisa; Braconi, Daniela; Vendruscolo, Michele

PLUMED Tutorials: A collaborative, community-driven learning ecosystem

PLUMED教程:一个协作式、社区驱动的学习生态系统

Tribello, Gareth A; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G H; Brotzakis, Z Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L; Fraux, Guillaume; Gale, Julian D; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S M; Hocky, Glen M; Hoff, Samuel E; Invernizzi, Michele; Languin-Cattoën, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomás F D; Spiwok, Vojtěch; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A; White, Andrew D; Wu, Jiangbo

Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning

使用基于结构的迭代学习发现 α-突触核蛋白聚集的有效抑制剂

Robert I Horne, Ewa A Andrzejewska, Parvez Alam #, Z Faidon Brotzakis #, Ankit Srivastava #, Alice Aubert, Magdalena Nowinska, Rebecca C Gregory, Roxine Staats, Andrea Possenti, Sean Chia, Pietro Sormanni, Bernardino Ghetti, Byron Caughey, Tuomas P J Knowles, Michele Vendruscolo

Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity

利用生成模型赋予原本惰性的化合物以良好的生物利用度和低毒性

Horne, Robert I; Wilson-Godber, Jared; González Díaz, Alicia; Brotzakis, Z Faidon; Seal, Srijit; Gregory, Rebecca C; Possenti, Andrea; Chia, Sean; Vendruscolo, Michele