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

Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target

分子军团:对 NLRP3 靶标周围化学空间的覆盖范围极其广泛

Zagribelnyy, Bogdan; Aladinskiy, Vladimir; Bondarev, Nikita; Ilin, Ivan; Malkov, Maxim; Vasileva, Anna; Ding, Xiaoyu; Lin, Arkadii; Shayakhmetov, Rim; Aliper, Alex; Ren, Feng; Zhavoronkov, Alex

A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models

小分子 TNIK 抑制剂针对临床前和临床模型中的纤维化

Feng Ren, Alex Aliper, Jian Chen, Heng Zhao, Sujata Rao, Christoph Kuppe, Ivan V Ozerov, Man Zhang, Klaus Witte, Chris Kruse, Vladimir Aladinskiy, Yan Ivanenkov, Daniil Polykovskiy, Yanyun Fu, Eugene Babin, Junwen Qiao, Xing Liang, Zhenzhen Mou, Hui Wang, Frank W Pun, Pedro Torres-Ayuso, Alexander V

Identification of Novel pan-KRAS Inhibitors via Structure-Based Drug Design, Scaffold Hopping, and Biological Evaluation

通过基于结构的药物设计、骨架跃迁和生物学评价鉴定新型泛KRAS抑制剂

Aladinskiy, Vladimir; Mantsyzov, Alexey B; Kruse, Chris; Noev, Alexey; Petrov, Rostislav; Reshetnikov, Viktor; Shi, Sujing; Ding, Xiao; Cai, Xin; Aliper, Alex; Zhavoronkov, Alex; Ren, Feng

AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

AlphaFold加速人工智能驱动的药物发现:高效发现一种新型CDK20小分子抑制剂

Ren, Feng; Ding, Xiao; Zheng, Min; Korzinkin, Mikhail; Cai, Xin; Zhu, Wei; Mantsyzov, Alexey; Aliper, Alex; Aladinskiy, Vladimir; Cao, Zhongying; Kong, Shanshan; Long, Xi; Man Liu, Bonnie Hei; Liu, Yingtao; Naumov, Vladimir; Shneyderman, Anastasia; Ozerov, Ivan V; Wang, Ju; Pun, Frank W; Polykovskiy, Daniil A; Sun, Chong; Levitt, Michael; Aspuru-Guzik, Alán; Zhavoronkov, Alex

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

分子数据集(MOSES):分子生成模型基准测试平台

Polykovskiy, Daniil; Zhebrak, Alexander; Sanchez-Lengeling, Benjamin; Golovanov, Sergey; Tatanov, Oktai; Belyaev, Stanislav; Kurbanov, Rauf; Artamonov, Aleksey; Aladinskiy, Vladimir; Veselov, Mark; Kadurin, Artur; Johansson, Simon; Chen, Hongming; Nikolenko, Sergey; Aspuru-Guzik, Alán; Zhavoronkov, Alex

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

深度学习能够快速识别有效的 DDR1 激酶抑制剂

Alex Zhavoronkov, Yan A Ivanenkov, Alex Aliper, Mark S Veselov, Vladimir A Aladinskiy, Anastasiya V Aladinskaya, Victor A Terentiev, Daniil A Polykovskiy, Maksim D Kuznetsov, Arip Asadulaev, Yury Volkov, Artem Zholus, Rim R Shayakhmetov, Alexander Zhebrak, Lidiya I Minaeva, Bogdan A Zagribelnyy, Len

Identification of Novel Antibacterials Using Machine Learning Techniques

利用机器学习技术鉴定新型抗菌药物

Ivanenkov, Yan A; Zhavoronkov, Alex; Yamidanov, Renat S; Osterman, Ilya A; Sergiev, Petr V; Aladinskiy, Vladimir A; Aladinskaya, Anastasia V; Terentiev, Victor A; Veselov, Mark S; Ayginin, Andrey A; Kartsev, Victor G; Skvortsov, Dmitry A; Chemeris, Alexey V; Baimiev, Alexey Kh; Sofronova, Alina A; Malyshev, Alexander S; Filkov, Gleb I; Bezrukov, Dmitry S; Zagribelnyy, Bogdan A; Putin, Evgeny O; Puchinina, Maria M; Dontsova, Olga A