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

Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance

数据探索之旅中汲取的经验教训:从实验到预测激酶亲和力、选择性、多药理学和耐药性的模型。

López-Ríos de Castro, Raquel; Rodríguez-Guerra, Jaime; Schaller, David; Kimber, Talia B; Taylor, Corey; White, Jessica B; Backenköhler, Michael; Payne, Alexander; Kaminow, Ben; Pulido, Iván; Singh, Sukrit; Kramer, Paula Linh; Pérez-Hernández, Guillermo; Volkamer, Andrea; Chodera, John D

TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research

TeachOpenCADD 2022:开源且符合 FAIR 原则的 Python 流程,助力结构生物信息学和化学信息学研究

Sydow, Dominique; Rodríguez-Guerra, Jaime; Kimber, Talia B; Schaller, David; Taylor, Corey J; Chen, Yonghui; Leja, Mareike; Misra, Sakshi; Wichmann, Michele; Ariamajd, Armin; Volkamer, Andrea

Revealing cytotoxic substructures in molecules using deep learning.

利用深度学习揭示分子中的细胞毒性亚结构

Webel Henry E, Kimber Talia B, Radetzki Silke, Neuenschwander Martin, Nazaré Marc, Volkamer Andrea