未登录The Advantages of AI for Computational Protein Studies and Looking Ahead at the Next Challenges: Single Structures Are Not Enough人工智能在计算蛋白质研究中的优势以及对未来挑战的展望:单一结构是不够的
Pradeep, B K; Chen, Shi-Jie; Dima, Ruxandra; Hassan, Mubasher; Joachimiak, Andrzej; Kihara, Daisuke; Kloczkowski, Andrzej; Law, Jeffrey; Liwo, Adam; Meller, Jarek; Micheletti, Cristan; Minor, Wladek; Montelione, Gaetano T; Rackovsky, Shalom; Scaramozzino, Domenico; Senda, Miki; Senda, Toshiya; Skolnick, Jeffrey; Stan, George; Vakser, Ilya A.; Wang, Jin; Zou, Xiaoqin; Jernigan, Robert L.
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收藏Evaluation of enzyme activity predictions for variants of unknown significance in Arylsulfatase A
Jain, Shantanu; Trinidad, Marena; Nguyen, Thanh Binh; Jones, Kaiya; Neto, Santiago Diaz; Ge, Fang; Glagovsky, Ailin; Jones, Cameron; Moran, Giankaleb; Wang, Boqi; Rahimi, Kobra; Calici, Suemeyra Zeynep; Cedillo, Luis R.; Berardelli, Silvia; Ozden, Buse; Chen, Ken; Katsonis, Panagiotis; Williams, Amanda; Lichtarge, Olivier; Rana, Sadhna; Pradhan, Swatantra; Srinivasan, Rajgopal; Sajeed, Rakshanda; Joshi, Dinesh; Faraggi, Eshel; Jernigan, Robert; Kloczkowski, Andrzej; Xu, Jierui; Song, Zigang; Ozkan, Selen; Padilla, Natalia; de la Cruz, Xavier; Acuna-Hidalgo, Rocio; Grafmueller, Andrea; Barron, Laura T. Jimenez; Manfredi, Matteo; Savojardo, Castrense; Babbi, Giulia; Martelli, Pier Luigi; Casadio, Rita; Sun, Yuanfei; Zhu, Shaowen; Shen, Yang; Pucci, Fabrizio; Rooman, Marianne; Cia, Gabriel; Raimondi, Daniele; Hermans, Pauline; Kwee, Sofia; Chen, Ella; Astore, Courtney; Kamandula, Akash; Pejaver, Vikas; Ramola, Rashika; Velyunskiy, Michelle; Zeiberg, Daniel; Mishra, Reet; Sterling, Teague; Goldstein, Jennifer L.; Lugo-Martinez, Jose; Kazi, Sufyan; Li, Sindy; Long, Kinsey; Brenner, Steven E.; Bakolitsa, Constantina; Radivojac, Predrag; Suhr, Dean; Suhr, Teryn; Clark, Wyatt T.
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收藏Discovery of novel TACE inhibitors using graph convolutional network, molecular docking, molecular dynamics simulation, and Biological evaluation利用图卷积网络、分子对接、分子动力学模拟和生物评价发现新型TACE抑制剂
Yasir, Muhammad; Park, Jinyoung; Han, Eun-Taek; Han, Jin-Hee; Park, Won Sun; Hassan, Mubashir; Kloczkowski, Andrzej
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收藏Exploring the anti-Alzheimer potential: Design, synthesis, biological activity, and molecular docking study of benzothiazol-1,3,4-oxadiazole-acetamide compounds
Nasab, Narges Hosseini; Raza, Hussain; Shim, Rok Su; Hassan, Mubashir; Kloczkowski, Andrzej; Kwak, Jae-Hwan; Kim, Song Ja
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收藏DescribePROT in 2023: more, higher-quality and experimental annotations and improved data download options
Basu, Sushmita; Zhao, Bi; Biro, Balint; Faraggi, Eshel; Gsponer, Jorg; Hu, Gang; Kloczkowski, Andrzej; Malhis, Nawar; Mirdita, Milot; Soeding, Johannes; Steinegger, Martin; Wang, Duolin; Wang, Kui; Xu, Dong; Zhang, Jian; Kurgan, Lukasz
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收藏A facile green synthesis of 3,4-dihydropyrimidin-2(1H)-ones using cysteine as a bio-organic catalyst: Potent urease inhibitors, in vitro evaluation, kinetic mechanism, and molecular docking studies
Nasab, Narges Hosseini; Raza, Hussain; Shim, Rok Su; Hassan, Mubashir; Kloczkowski, Andrzej; Kim, Song Ja
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收藏Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations通过分子对接,药物基因组学分析和分子动力学模拟探索黄酮类化合物作为先导化合物对抗尤文肉瘤
Yasir, Muhammad; Park, Jinyoung; Han, Eun-Taek; Park, Won Sun; Han, Jin-Hee; Kwon, Yong-Soo; Lee, Hee-Jae; Hassan, Mubashir; Kloczkowski, Andrzej; Chun, Wanjoo
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收藏Protein folds vs. protein folding: Differing questions, different challenges
Chen, Shi-Jie; Hassan, Mubashir; Jernigan, Robert L.; Jia, Kejue; Kihara, Daisuke; Kloczkowski, Andrzej; Kotelnikov, Sergei; Kozakov, Dima; Liang, Jie; Liwo, Adam; Matysiak, Silvina; Meller, Jarek; Micheletti, Cristian; Mitchell, Julie C.; Mondal, Sayantan; Nussinov, Ruth; Okazaki, Kei-ichi; Padhorny, Dzmitry; Skolnick, Jeffrey; Sosnick, Tobin R.; Stan, George; Vakser, Ilya; Zou, Xiaoqin; Rose, George D.
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