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

PROTAC-Splitter: a machine learning framework for automated identification of PROTAC substructures

PROTAC-Splitter:一种用于自动识别PROTAC亚结构的机器学习框架

Ribes, Stefano; Zhang, Ranxuan; Cropsal, Télio; Källberg, Anders; Tyrchan, Christian; Nittinger, Eva; Mercado, Rocío

Exploring Secondary Structure Predictions for RNA-Targeted Drug Discovery: Power and Challenges

探索RNA靶向药物发现中的二级结构预测:优势与挑战

Zhang, Zhengyue; Dolcetti, Gaia; Tyrchan, Christian; De Maria, Leonardo; Bussi, Giovanni; Czechtizky, Werngard

Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries

通过轮盘赌选择法增强汤普森采样,用于筛选超大型组合库

Zhao, Hongtao; Nittinger, Eva; Yu, Melissa A; Gathiaka, Symon; Walters, W Patrick; Tyrchan, Christian

Combining structural and coevolution information to unveil allosteric sites

结合结构和共进化信息揭示变构位点

La Sala, Giuseppina; Pfleger, Christopher; Käck, Helena; Wissler, Lisa; Nevin, Philip; Böhm, Kerstin; Janet, Jon Paul; Schimpl, Marianne; Stubbs, Christopher J; De Vivo, Marco; Tyrchan, Christian; Hogner, Anders; Gohlke, Holger; Frolov, Andrey I

Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification

基于相似性的配对提高了孪生神经网络在回归任务和不确定性量化方面的效率

Zhang, Yumeng; Menke, Janosch; He, Jiazhen; Nittinger, Eva; Tyrchan, Christian; Koch, Oliver; Zhao, Hongtao

Mining Natural Products for Macrocycles to Drug Difficult Targets

挖掘大环化合物天然产物以治疗疑难疾病

Fabio Begnini, Vasanthanathan Poongavanam, Björn Over, Marie Castaldo, Stefan Geschwindner, Patrik Johansson, Mohit Tyagi, Christian Tyrchan, Lisa Wissler, Peter Sjö, Stefan Schiesser, Jan Kihlberg

Molecular optimization by capturing chemist's intuition using deep neural networks

利用深度神经网络捕捉化学家的直觉进行分子优化

He, Jiazhen; You, Huifang; Sandström, Emil; Nittinger, Eva; Bjerrum, Esben Jannik; Tyrchan, Christian; Czechtizky, Werngard; Engkvist, Ola

Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction

基于自注意力机制的孪生循环神经网络用于生物活性预测

Fernández-Llaneza, Daniel; Ulander, Silas; Gogishvili, Dea; Nittinger, Eva; Zhao, Hongtao; Tyrchan, Christian

SMILES-based deep generative scaffold decorator for de-novo drug design

基于SMILES的深度生成式支架修饰器用于从头药物设计

Arús-Pous, Josep; Patronov, Atanas; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola

The deubiquitinase USP7 uses a distinct ubiquitin-like domain to deubiquitinate NF-ĸB subunits

去泛素化酶 USP7 利用独特的类泛素结构域对 NF-ĸB 亚基进行去泛素化

Izaskun Mitxitorena, Domenico Somma, Jennifer P Mitchell, Matti Lepistö, Christian Tyrchan, Emma L Smith, Patrick A Kiely, Helen Walden, Karen Keeshan, Ruaidhrí J Carmody