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11 |
Material Type: Artigo
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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding AffinityNguyen, Nguyen Thanh ; Nguyen, Trung Hai ; Pham, T. Ngoc Han ; Huy, Nguyen Truong ; Bay, Mai Van ; Pham, Minh Quan ; Nam, Pham Cam ; Vu, Van V ; Ngo, Son TungJournal of chemical information and modeling, 2020-01, Vol.60 (1), p.204-211 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
12 |
Material Type: Artigo
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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET PropertiesCheng, Feixiong ; Li, Weihua ; Zhou, Yadi ; Shen, Jie ; Wu, Zengrui ; Liu, Guixia ; Lee, Philip W ; Tang, YunJournal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
13 |
Material Type: Artigo
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Rigorous Free Energy Simulations in Virtual ScreeningCournia, Zoe ; Allen, Bryce K ; Beuming, Thijs ; Pearlman, David A ; Radak, Brian K ; Sherman, WoodyJournal of chemical information and modeling, 2020-09, Vol.60 (9), p.4153-4169 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
14 |
Material Type: Artigo
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Deep Learning in ChemistryMater, Adam C ; Coote, Michelle LJournal of chemical information and modeling, 2019-06, Vol.59 (6), p.2545-2559 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
15 |
Material Type: Artigo
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A Survey of Autonomous Driving: Common Practices and Emerging TechnologiesYurtsever, Ekim ; Lambert, Jacob ; Carballo, Alexander ; Takeda, KazuyaIEEE access, 2020, Vol.8, p.58443-58469 [Periódico revisado por pares]Piscataway: IEEETexto completo disponível |
16 |
Material Type: Artigo
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Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science LiteratureWeston, L ; Tshitoyan, V ; Dagdelen, J ; Kononova, O ; Trewartha, A ; Persson, K. A ; Ceder, G ; Jain, AJournal of chemical information and modeling, 2019-09, Vol.59 (9), p.3692-3702 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
17 |
Material Type: Artigo
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Protein–Ligand Scoring with Convolutional Neural NetworksRagoza, Matthew ; Hochuli, Joshua ; Idrobo, Elisa ; Sunseri, Jocelyn ; Koes, David RyanJournal of chemical information and modeling, 2017-04, Vol.57 (4), p.942-957 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
18 |
Material Type: Artigo
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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical ConsiderationsCournia, Zoe ; Allen, Bryce ; Sherman, WoodyJournal of chemical information and modeling, 2017-12, Vol.57 (12), p.2911-2937 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
19 |
Material Type: Artigo
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Solutions to Scalability of Blockchain: A SurveyZhou, Qiheng ; Huang, Huawei ; Zheng, Zibin ; Bian, JingIEEE access, 2020, Vol.8, p.16440-16455 [Periódico revisado por pares]Piscataway: IEEETexto completo disponível |
20 |
Material Type: Artigo
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GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New FeaturesLee, Tai-Sung ; Cerutti, David S ; Mermelstein, Dan ; Lin, Charles ; LeGrand, Scott ; Giese, Timothy J ; Roitberg, Adrian ; Case, David A ; Walker, Ross C ; York, Darrin MJournal of chemical information and modeling, 2018-10, Vol.58 (10), p.2043-2050 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |