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Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Christina Schindler, Hannah Baumann, Andreas Blum, Dietrich Böse, Hans-Peter Buchstaller, Lars Burgdorf, Daniel Cappel, Eugene Chekler, Paul Czodrowski, Dieter Dorsch, Merveille Eguida, Bruce Follows, Thomas Fuchß, Ulrich Grädler, Jakub Gunera, Theresa Johnson, Catherine Jorand Lebrun, Srinivasa Karra, Markus Klein, Lisa Kötzner, Tim Knehans, Mireille Krier, Matthias Leiendecker, Birgitta Leuthner, Liwei Li, Igor Mochalkin, Djordje Musil, Constantin Neagu, Friedrich Rippmann, Kai Schiemann, Robert Schulz, Thomas Steinbrecher, Eva-Maria Tanzer, Andrea Unzue Lopez, Ariele Viacava Follis, Ansgar Wegener, Daniel Kuhn

Version 2 posted 27 January 2020

3,516

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2

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Theoretical and Computational Chemistry

Working Paper

Stacking Effects on Charge Transfer Dynamics in Fluctuating DNA

Zhongwei Li, Keli Han

Version 1 posted 12 August 2020

301

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Analytical Chemistry

Working Paper

Systemic in Silico Screening in Drug Discovery for Coronavirus Disease (COVID-19) with an Online Interactive Web Server

Chi Xu, Zunhui Ke, Chuandong Liu, Zhihao Wang, Denghui Liu, Lei Zhang, Jingning Wang, Wenjun He, Zhimeng Xu, Yanqing Li, Yanan Yang, Zhaowei Huang, Panjing Lv, Xin Wang, Dali Han, Yan Li, Nan Qiao, Bing Liu

Version 1 posted 03 April 2020

1,298

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2

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Inorganic Chemistry

Working Paper

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

Xia-Li Ding, Yuan-Qi Zhai, Tian Han, Wei-Peng Chen, You-Song Ding, Yan-Zhen Zheng

Version 1 posted 24 July 2020

715

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Catalysis

Working Paper

Diastereoselective Synthesis of b-Branched a-Amino Acids via Bio-catalytic Dynamic Kinetic Resolution

Fuzhuo Li, Li-Cheng Yang, Jingyang Zhang, Jason Chen, Hans Renata

Version 1 posted 04 February 2021

679

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Earth, Space, and Environmental Chemistry

Working Paper

Fatty Liver and Impaired Hepatic Metabolism Alters the Congener-Specific Distribution of Polychlorinated Biphenyls (PCBs) in Mice with a Liver-Specific Deletion of Cytochrome P450 Reductase

Xueshu Li, Chun-Yun Zhang, Hans-Joachim Lehmler

Version 1 posted 25 March 2020

392

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Catalysis

Working Paper

On the Acid Sites of Phosphorous Modified Zeosils

Gaurav Kumar, Limin Ren, Yutong Pang, Xinyu Li, Han Chen, Jason Gulbinski, Paul Dauenhauer, Michael Tsapatsis, Omar Abdelrahman

Version 2 posted 26 March 2021

595

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Catalysis

Working Paper

Ni-Catalyzed Deamination Cross-Electrophile Coupling of Katritzky Salts with Halides via C–N Bond Activation

Shengyang Ni, Chunxiao Li, Jianlin Han, Yu Mao, Yi Pan

Version 1 posted 28 January 2019

1,101

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2

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Biological and Medicinal Chemistry

Working Paper

Functional Switching of a Native Neuropeptide Through Interactions with Pathogenic Factors in Dementia

Jiyeon Han, Eunju Nam, Jiwon Yoon, Tongrui Qian, Yulong Li, Seung-Hee Lee, Mi Hee Lim

Version 1 posted 07 June 2021

417

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Organic Chemistry

Working Paper

Merging Chemoenzymatic and Radical-Based Retrosynthetic Logic For Rapid and Modular Synthesis of Oxidized Meroterpenoids

Jian Li, Fuzhuo Li, Emma King-Smith, Hans Renata

Version 1 posted 21 February 2019

1,370

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87 results in Han Li in Authors: Han Li

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Stacking Effects on Charge Transfer Dynamics in Fluctuating DNA

Systemic in Silico Screening in Drug Discovery for Coronavirus Disease (COVID-19) with an Online Interactive Web Server

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

Diastereoselective Synthesis of b-Branched a-Amino Acids via Bio-catalytic Dynamic Kinetic Resolution

Fatty Liver and Impaired Hepatic Metabolism Alters the Congener-Specific Distribution of Polychlorinated Biphenyls (PCBs) in Mice with a Liver-Specific Deletion of Cytochrome P450 Reductase

On the Acid Sites of Phosphorous Modified Zeosils

Ni-Catalyzed Deamination Cross-Electrophile Coupling of Katritzky Salts with Halides via C–N Bond Activation

Functional Switching of a Native Neuropeptide Through Interactions with Pathogenic Factors in Dementia

Merging Chemoenzymatic and Radical-Based Retrosynthetic Logic For Rapid and Modular Synthesis of Oxidized Meroterpenoids

87 results in Authors: Han Li