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

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

A novel, covalent broad-spectrum inhibitor targeting human coronavirus M(pro).

一种新型的、针对人类冠状病毒 M(pro) 的共价广谱抑制剂

Sun Jing, Sun Deheng, Yang Qi, Wang Dong, Peng Jingjing, Guo Hu, Ding Xiaoyu, Chen Zhao, Yuan Bin, Ivanenkov Yan A, Yuan Jinwei, Zagribelnyy Bogdan A, He Yiyun, Su Jingyi, Wang Ling, Tang Jielin, Li Zhun, Li Rong, Li Taotao, Hu Xiaoyu, Liang Xing, Zhu Airu, Wei Peilan, Fan Yaya, Liu Sang, Zheng Jie, Guan Xin, Aliper Alex, Yang Minglei, Bezrukov Dmitry S, Xie Zhanhong, Terentiev Victor A, Peng Guilin, Polykovskiy Daniil A, Malyshev Alexander S, Malkov Maxim N, Zhu Qingsong, Aspuru-Guzik Alán, Ding Xiao, Cai Xin, Zhang Man, Zhao Jingxian, Zhong Nanshan, Ren Feng, Chen Xinwen, Zhavoronkov Alex, Zhao Jincun

nach0: multimodal natural and chemical languages foundation model

nach0:多模态自然语言和化学语言基础模型

Livne, Micha; Miftahutdinov, Zulfat; Tutubalina, Elena; Kuznetsov, Maksim; Polykovskiy, Daniil; Brundyn, Annika; Jhunjhunwala, Aastha; Costa, Anthony; Aliper, Alex; Aspuru-Guzik, Alán; Zhavoronkov, Alex

PandaOmics: An AI-Driven Platform for Therapeutic Target and Biomarker Discovery

PandaOmics:一个基于人工智能的治疗靶点和生物标志物发现平台

Kamya, Petrina; Ozerov, Ivan V; Pun, Frank W; Tretina, Kyle; Fokina, Tatyana; Chen, Shan; Naumov, Vladimir; Long, Xi; Lin, Sha; Korzinkin, Mikhail; Polykovskiy, Daniil; Aliper, Alex; Ren, Feng; Zhavoronkov, Alex

COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework

COSMIC:基于对抗框架的内部坐标分子构象空间建模

Kuznetsov, Maksim; Ryabov, Fedor; Schutski, Roman; Shayakhmetov, Rim; Lin, Yen-Chu; Aliper, Alex; Polykovskiy, Daniil

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 Generation for Desired Transcriptome Changes With Adversarial Autoencoders

利用对抗性自编码器进行所需转录组变化的分子生成

Shayakhmetov, Rim; Kuznetsov, Maksim; Zhebrak, Alexander; Kadurin, Artur; Nikolenko, Sergey; Aliper, Alexander; Polykovskiy, Daniil

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