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

Virtual fragment screening for DNA repair inhibitors in vast chemical space.

在广阔的化学空间中对DNA修复抑制剂进行虚拟片段筛选

Luttens Andreas, Vo Duc Duy, Scaletti Emma R, Wiita Elisée, Almlöf Ingrid, Wallner Olov, Davies Jonathan, Košenina Sara, Meng Liuzhen, Long Maeve, Mortusewicz Oliver, Masuyer Geoffrey, Ballante Flavio, Michel Maurice, Homan Evert, Scobie Martin, Kalderén Christina, Warpman Berglund Ulrika, Tarnovskiy Andrii V, Radchenko Dmytro S, Moroz Yurii S, Kihlberg Jan, Stenmark Pål, Helleday Thomas, Carlsson Jens

From library to landscape: integrative annotation workflows for compound libraries in drug repurposing

从库到景观:药物重定位中化合物库的整合注释工作流程

Reinshagen, Jeanette; Seashore-Ludlow, Brinton; Gadiya, Yojana; Gustavsson, Anna-Lena; Tanoli, Ziaurrehman; Aittokallio, Tero; Huchting, Johanna; Jenmalm-Jensen, Annika; Gribbon, Philip; Zaliani, Andrea; Ballante, Flavio

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

分子动力学模拟能否提高GPCR模型的结构精度和虚拟筛选性能?

Kapla, Jon; Rodríguez-Espigares, Ismael; Ballante, Flavio; Selent, Jana; Carlsson, Jens

Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling

通过诱变和计算建模对激动剂与蛋白酶激活受体2结合的结构进行表征

Kennedy, Amanda J; Ballante, Flavio; Johansson, Johan R; Milligan, Graeme; Sundström, Linda; Nordqvist, Anneli; Carlsson, Jens