Ultra-large library docking for discovering new chemotypes
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DOI: 10.1038/s41586-019-0917-9
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Cited by:
- Stefan Gahbauer & Chelsea DeLeon & Joao M. Braz & Veronica Craik & Hye Jin Kang & Xiaobo Wan & Xi-Ping Huang & Christian B. Billesbølle & Yongfeng Liu & Tao Che & Ishan Deshpande & Madison Jewell & El, 2023. "Docking for EP4R antagonists active against inflammatory pain," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
- Jing Gu & Rui-Kun Peng & Chun-Ling Guo & Meng Zhang & Jie Yang & Xiao Yan & Qian Zhou & Hongwei Li & Na Wang & Jinwei Zhu & Qin Ouyang, 2022. "Construction of a synthetic methodology-based library and its application in identifying a GIT/PIX protein–protein interaction inhibitor," Nature Communications, Nature, vol. 13(1), pages 1-13, December.
- Yi An & Jiwoong Lim & Marta Glavatskikh & Xiaowen Wang & Jacqueline Norris-Drouin & P. Brian Hardy & Tina M. Leisner & Kenneth H. Pearce & Dmitri Kireev, 2024. "In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-bot," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
- Paul Beroza & James J. Crawford & Oleg Ganichkin & Leo Gendelev & Seth F. Harris & Raphael Klein & Anh Miu & Stefan Steinbacher & Franca-Maria Klingler & Christian Lemmen, 2022. "Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
- Lifan Chen & Zisheng Fan & Jie Chang & Ruirui Yang & Hui Hou & Hao Guo & Yinghui Zhang & Tianbiao Yang & Chenmao Zhou & Qibang Sui & Zhengyang Chen & Chen Zheng & Xinyue Hao & Keke Zhang & Rongrong Cu, 2023. "Sequence-based drug design as a concept in computational drug design," Nature Communications, Nature, vol. 14(1), pages 1-21, December.
- Ryan Theisen & Tianduanyi Wang & Balaguru Ravikumar & Rayees Rahman & Anna Cichońska, 2024. "Leveraging multiple data types for improved compound-kinase bioactivity prediction," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
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