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

PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA

PLIP 2021:将蛋白质-配体相互作用分析器的范围扩展到DNA和RNA

Adasme, Melissa F; Linnemann, Katja L; Bolz, Sarah Naomi; Kaiser, Florian; Salentin, Sebastian; Haupt, V Joachim; Schroeder, Michael

Structural binding site comparisons reveal Crizotinib as a novel LRRK2 inhibitor.

结构结合位点比较表明,克唑替尼是一种新型的 LRRK2 抑制剂

Bolz Sarah Naomi, Salentin Sebastian, Jennings Gary, Haupt V Joachim, Sterneckert Jared, Schroeder Michael

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

人工智能在药物化学合成中的现状与未来作用

Struble, Thomas J; Alvarez, Juan C; Brown, Scott P; Chytil, Milan; Cisar, Justin; DesJarlais, Renee L; Engkvist, Ola; Frank, Scott A; Greve, Daniel R; Griffin, Daniel J; Hou, Xinjun; Johannes, Jeffrey W; Kreatsoulas, Constantine; Lahue, Brian; Mathea, Miriam; Mogk, Georg; Nicolaou, Christos A; Palmer, Andrew D; Price, Daniel J; Robinson, Richard I; Salentin, Sebastian; Xing, Li; Jaakkola, Tommi; Green, William H; Barzilay, Regina; Coley, Connor W; Jensen, Klavs F

Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning

基于结构的药物重定位技术揭示了用于治疗恰加斯病的药物

Adasme, Melissa F; Bolz, Sarah Naomi; Adelmann, Lauren; Salentin, Sebastian; Haupt, V Joachim; Moreno-Rodríguez, Adriana; Nogueda-Torres, Benjamín; Castillo-Campos, Verónica; Yepez-Mulia, Lilián; De Fuentes-Vicente, José A; Rivera, Gildardo; Schroeder, Michael

Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor

基于结构的药物重定位解释了伊布替尼作为VEGFR2抑制剂的作用

Adasme, Melissa F; Parisi, Daniele; Van Belle, Kristien; Salentin, Sebastian; Haupt, V Joachim; Jennings, Gary S; Heinrich, Jörg-Christian; Herman, Jean; Sprangers, Ben; Louat, Thierry; Moreau, Yves; Schroeder, Michael

Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling

利用蛋白质-配体相互作用分析对恰加斯病进行计算药物重新定位

Alfredo Juárez-Saldivar, Michael Schroeder, Sebastian Salentin, V Joachim Haupt, Emma Saavedra, Citlali Vázquez, Francisco Reyes-Espinosa, Verónica Herrera-Mayorga, Juan Carlos Villalobos-Rocha, Carlos A García-Pérez, Nuria E Campillo, Gildardo Rivera

UniLectin3D, a database of carbohydrate binding proteins with curated information on 3D structures and interacting ligands

UniLectin3D,一个包含碳水化合物结合蛋白的数据库,其中包含经过整理的3D结构和相互作用配体的信息。

Bonnardel, François; Mariethoz, Julien; Salentin, Sebastian; Robin, Xavier; Schroeder, Michael; Perez, Serge; Lisacek, Frédérique; Imberty, Anne

From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns

从疟疾到癌症:利用PLIP相互作用模式进行阿莫地喹的计算药物重定位

Salentin, Sebastian; Adasme, Melissa F; Heinrich, Jörg C; Haupt, V Joachim; Daminelli, Simone; Zhang, Yixin; Schroeder, Michael