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

Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization

通过反应预测和多维优化加速药物发现中的先导化合物转化进程

Nippa, David F; Atz, Kenneth; Stenzhorn, Yannick; Müller, Alex T; Tosstorff, Andreas; Benz, Jörg; Binch, Hayley; Bürkler, Markus; Haider, Achi; Heer, Dominik; Hochstrasser, Remo; Kramer, Christian; Reutlinger, Michael; Schneider, Petra; Shema, Thierry; Topp, Andreas; Walter, Alexander; Wittwer, Matthias B; Wolfard, Jens; Kuhn, Bernd; van der Stelt, Mario; Martin, Rainer E; Grether, Uwe; Schneider, Gisbert

Selective inhibition of Mycobacterium tuberculosis GpsI unveils a novel strategy to target the RNA metabolism

选择性抑制结核分枝杆菌GpsI揭示了一种靶向RNA代谢的新策略

Griesser, Tizian; Wang, Rui; Angona, Irene Pachon; Rogenmoser, Janis; Obrist, Julia; Schneider, Gisbert; Sander, Peter

Author Correction: Computer-assisted quantification of motile and invasive capabilities of cancer cells

作者更正:计算机辅助量化癌细胞的运动和侵袭能力

Santhana Kumar, Karthiga; Pillong, Max; Kunze, Jens; Burghardt, Isabel; Weller, Michael; Grotzer, Michael A; Schneider, Gisbert; Baumgartner, Martin

Protein Binding Site Representation in Latent Space

潜在空间中的蛋白质结合位点表示

Lohmann, Frederieke; Allenspach, Stephan; Atz, Kenneth; Schiebroek, Carl C G; Hiss, Jan A; Schneider, Gisbert

Simple User-Friendly Reaction Format

简单易用的响应格式

Nippa, David F; Müller, Alex T; Atz, Kenneth; Konrad, David B; Grether, Uwe; Martin, Rainer E; Schneider, Gisbert

Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning

利用几何深度学习进行高通量实验,实现后期药物多样化

Nippa, David F; Atz, Kenneth; Hohler, Remo; Müller, Alex T; Marx, Andreas; Bartelmus, Christian; Wuitschik, Georg; Marzuoli, Irene; Jost, Vera; Wolfard, Jens; Binder, Martin; Stepan, Antonia F; Konrad, David B; Grether, Uwe; Martin, Rainer E; Schneider, Gisbert

Novel R package to quantify and monetize burden of disease attributable to air pollution and noise

一款用于量化和货币化空气污染和噪声造成的疾病负担的新型 R 软件包

Atz, Kenneth; Cotos, Leandro; Isert, Clemens; Håkansson, Maria; Focht, Dorota; Hilleke, Mattis; Nippa, David F; Iff, Michael; Ledergerber, Jann; Schiebroek, Carl C G; Romeo, Valentina; Hiss, Jan A; Merk, Daniel; Schneider, Petra; Kuhn, Bernd; Grether, Uwe; Schneider, Gisbert; Luan, Ying; Wang, Weiyi; Guan, Yihui; Franzmeier, Nicolai; Xie, Fang; Ewers, Michael; Luyten, A; Breitner, S; Barbosa, A; Kocbach Bølling, A; Lepnurm, M; Pauwels, A; Rueda-López, M J; Castro, A

Baricitinib and tofacitinib off-target profile, with a focus on Alzheimer's disease

巴瑞替尼和托法替尼的脱靶效应特征,重点关注阿尔茨海默病

Faquetti, Maria L; Slappendel, Laura; Bigonne, Hélène; Grisoni, Francesca; Schneider, Petra; Aichinger, Georg; Schneider, Gisbert; Sturla, Shana J; Burden, Andrea M

Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning

利用基于电子密度的几何深度学习探索蛋白质-配体结合亲和力预测

Isert, Clemens; Atz, Kenneth; Riniker, Sereina; Schneider, Gisbert

Combining de novo molecular design with semiempirical protein-ligand binding free energy calculation

将从头分子设计与半经验蛋白质-配体结合自由能计算相结合

Iff, Michael; Atz, Kenneth; Isert, Clemens; Pachon-Angona, Irene; Cotos, Leandro; Hilleke, Mattis; Hiss, Jan A; Schneider, Gisbert