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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Acharya, A ; Agarwal, R ; Baker, M. B ; Baudry, J ; Bhowmik, D ; Boehm, S ; Byler, K. G ; Chen, S. Y ; Coates, L ; Cooper, C. J ; Demerdash, O ; Daidone, I ; Eblen, J. D ; Ellingson, S ; Forli, S ; Glaser, J ; Gumbart, J. C ; Gunnels, J ; Hernandez, O ; Irle, S ; Kneller, D. W ; Kovalevsky, A ; Larkin, J ; Lawrence, T. J ; LeGrand, S ; Liu, S.-H ; Mitchell, J.C ; Park, G ; Parks, J.M ; Pavlova, A ; Petridis, L ; Poole, D ; Pouchard, L ; Ramanathan, A ; Rogers, D. M ; Santos-Martins, D ; Scheinberg, A ; Sedova, A ; Shen, Y ; Smith, J. C ; Smith, M. D ; Soto, C ; Tsaris, A ; Thavappiragasam, M ; Tillack, A. F ; Vermaas, J. V ; Vuong, V. Q ; Yin, J ; Yoo, S ; Zahran, M ; Zanetti-Polzi, L

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5832-5852 [Periódico revisado por pares]

United States: American Chemical Society

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12
Template‐Directed Rapid Synthesis of Pd‐Based Ultrathin Porous Intermetallic Nanosheets for Efficient Oxygen Reduction
Template‐Directed Rapid Synthesis of Pd‐Based Ultrathin Porous Intermetallic Nanosheets for Efficient Oxygen Reduction
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Template‐Directed Rapid Synthesis of Pd‐Based Ultrathin Porous Intermetallic Nanosheets for Efficient Oxygen Reduction

Guo, Jingchun ; Gao, Lei ; Tan, Xin ; Yuan, Yuliang ; Kim, Jeonghyeon ; Wang, Yu ; Wang, Hui ; Zeng, Yu‐Jia ; Choi, Sang‐Il ; Smith, Sean C. ; Huang, Hongwen

Angewandte Chemie (International ed.), 2021-05, Vol.60 (19), p.10942-10949 [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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13
Between the Sheets: Postsynthetic Transformations in Hybrid Perovskites
Between the Sheets: Postsynthetic Transformations in Hybrid Perovskites
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Between the Sheets: Postsynthetic Transformations in Hybrid Perovskites

Smith, Ian C ; Smith, Matthew D ; Jaffe, Adam ; Lin, Yu ; Karunadasa, Hemamala I

Chemistry of materials, 2017-03, Vol.29 (5), p.1868-1884 [Periódico revisado por pares]

United States: American Chemical Society

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14
Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations
Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations
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Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations

Du, Aijun ; Zhu, Zhonghua ; Smith, Sean C

Journal of the American Chemical Society, 2010-03, Vol.132 (9), p.2876-2877 [Periódico revisado por pares]

United States: American Chemical Society

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15
Palladium-Catalyzed Sulfination of Aryl and Heteroaryl Halides: Direct Access to Sulfones and Sulfonamides
Palladium-Catalyzed Sulfination of Aryl and Heteroaryl Halides: Direct Access to Sulfones and Sulfonamides
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Palladium-Catalyzed Sulfination of Aryl and Heteroaryl Halides: Direct Access to Sulfones and Sulfonamides

Shavnya, Andrei ; Coffey, Steven B ; Smith, Aaron C ; Mascitti, Vincent

Organic letters, 2013-12, Vol.15 (24), p.6226-6229 [Periódico revisado por pares]

United States: American Chemical Society

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16
Boosting Oxygen Evolution Reaction by Creating Both Metal Ion and Lattice‐Oxygen Active Sites in a Complex Oxide
Boosting Oxygen Evolution Reaction by Creating Both Metal Ion and Lattice‐Oxygen Active Sites in a Complex Oxide
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Boosting Oxygen Evolution Reaction by Creating Both Metal Ion and Lattice‐Oxygen Active Sites in a Complex Oxide

Zhu, Yinlong ; Tahini, Hassan A. ; Hu, Zhiwei ; Chen, Zhi‐Gang ; Zhou, Wei ; Komarek, Alexander C. ; Lin, Qian ; Lin, Hong‐Ji ; Chen, Chien‐Te ; Zhong, Yijun ; Fernández‐Díaz, M. T. ; Smith, Sean C. ; Wang, Huanting ; Liu, Meilin ; Shao, Zongping

Advanced materials (Weinheim), 2020-01, Vol.32 (1), p.e1905025-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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17
Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations
Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations
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Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations

Mei, Donghai ; Neurock, Matthew ; Smith, C. Michael

Journal of catalysis, 2009-12, Vol.268 (2), p.181-195 [Periódico revisado por pares]

Amsterdam: Elsevier Inc

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18
Chemical Approaches to Addressing the Instability and Toxicity of Lead–Halide Perovskite Absorbers
Chemical Approaches to Addressing the Instability and Toxicity of Lead–Halide Perovskite Absorbers
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Chemical Approaches to Addressing the Instability and Toxicity of Lead–Halide Perovskite Absorbers

Slavney, Adam H ; Smaha, Rebecca W ; Smith, Ian C ; Jaffe, Adam ; Umeyama, Daiki ; Karunadasa, Hemamala I

Inorganic chemistry, 2017-01, Vol.56 (1), p.46-55 [Periódico revisado por pares]

United States: American Chemical Society

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19
Charge and Spin State Readout of a Double Quantum Dot Coupled to a Resonator
Charge and Spin State Readout of a Double Quantum Dot Coupled to a Resonator
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Charge and Spin State Readout of a Double Quantum Dot Coupled to a Resonator

Petersson, K. D ; Smith, C. G ; Anderson, D ; Atkinson, P ; Jones, G. A. C ; Ritchie, D. A

Nano letters, 2010-08, Vol.10 (8), p.2789-2793 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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20
Intrinsic ORR Activity Enhancement of Pt Atomic Sites by Engineering the d‐Band Center via Local Coordination Tuning
Intrinsic ORR Activity Enhancement of Pt Atomic Sites by Engineering the d‐Band Center via Local Coordination Tuning
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Intrinsic ORR Activity Enhancement of Pt Atomic Sites by Engineering the d‐Band Center via Local Coordination Tuning

Zhu, Xiaofeng ; Tan, Xin ; Wu, Kuang‐Hsu ; Haw, Shu‐Chih ; Pao, Chih‐Wen ; Su, Bing‐Jian ; Jiang, Junjie ; Smith, Sean C. ; Chen, Jin‐Ming ; Amal, Rose ; Lu, Xunyu

Angewandte Chemie International Edition, 2021-09, Vol.60 (40), p.21911-21917 [Periódico revisado por pares]

Weinheim: Wiley Subscription Services, Inc

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Deste Autor:

  1. Manganote, E
  2. Staut, L
  3. Henry, M
  4. Rizzi, C
  5. Viterbo, F

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  1. Chemistry
  2. Chemistry
  3. Science & Technology
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  5. Chemistry, Multidisciplinary

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