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A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Stacie Canan, Takaya Togo, Linh Tram, Laura Denton, Xochina ElHilali-Pollard, Jun Gu, Jinglei Jiang, Chenglei Liu, Yan Zhao, Yanlong Zhao, Yingzhe Zheng, Yunping Zheng, Jingjing Yang, Michelle Arkin, Panpan Fan, Deqian Sun, Steven Wheeler, Adam Renslo

Version 1 posted 16 December 2022

415

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Materials Science

Working Paper

Robust Supramolecular Nano-Tunnels Built from Molecular Bricks

Peifa Wei, Zheng Zheng, Junyi Gong, Jun Zhang, Herman H.-Y. Sung, Ian Duncan Williams, Jacky W. Y. Lam, Ben Zhong Tang

Version 1 posted 14 July 2020

375

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Inorganic Chemistry

Working Paper

Linker Deficiency, Aromatic Ring Fusion and Electrocatalysis in a Porous Ni8 Pyrazolate Network

Jieying Hu, Xiangling Deng, Hu Zhang, Yingxue Diao, Shengxian Cheng, Sai-Li Zheng, Wei-Ming Liao, Jun He, Zhengtao Xu

Version 1 posted 12 October 2020

430

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Materials Science

Working Paper

Aggregation-Induced Emission Luminogen: The New Perspective in Photo-Degradation of Organic Pollution

Xing Feng, Ying Li, Zhen Hu, Qingsong Wang, mengsi chem, Haoke Zhang, Miaomiao Kang, zheng zhao, Md. Monarul Islam, Jun Zhang, Ye Xiao, Menglong Zhang, Carl Redshaw, Qing Chen, Sheng Xie, Jacky W. Y. Lam, Ben Zhong Tang

Version 1 posted 19 July 2019

784

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Theoretical and Computational Chemistry

Working Paper

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Yuanfei Xue, Jia-Ning Wang, Wenxin Hu, Jun Zheng, Yongle Li, Xiaoliang Pan, Yan Mo, Yihan Shao, Lu Wang, Ye Mei

Version 1 posted 02 August 2021

306

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Theoretical and Computational Chemistry

Working Paper

Random Forest Refinement of Pairwise Potentials for Protein-ligand Decoy Detection

Jun Pei, Zheng Zheng, Hyunji Kim, Lin Song, Sarah Walworth, Margaux Merz, Kenneth M. Merz Jr.

Version 1 posted 30 April 2019

549

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Materials Science

Working Paper

Aggregation-Induced Nonlinear Optical Effects of AIEgen Nanocrystals for Ultra-Deep in Vivo Bio-Imaging

Zheng Zheng, Dongyu Li, zhiyang liu, Hui-Qing Peng, Herman H.-Y. Sung, Ryan Tsz Kin Kwok, Ian Duncan Williams, Jacky W. Y. Lam, Jun Qian, Ben Zhong Tang

Version 1 posted 17 July 2019

943

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Biological and Medicinal Chemistry

Working Paper

Rational Engineering of Hydratase from Lactobacillus Acidophilus Reveals Critical Residues Directing Substrate Specificity and Regioselectivity

Bekir Engin Eser, Michal Poborsky, Rongrong Dai, Shigenobu Kishino, Anita Ljubic, Michiki Takeuchi, Charlotte Jacobsen, Jun Ogawa, Peter Kristensen, Zheng Guo

Version 2 posted 04 June 2019

973

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2

Citations

Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 1 posted 29 July 2020

290

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Theoretical and Computational Chemistry

Working Paper

Random Forest Refinement of the KECSA2 Knowledge-based Scoring Function for Protein Decoy Detection

Jun Pei, Zheng Zheng, Kenneth M. Merz Jr.

Version 1 posted 22 October 2018

490

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Refine Search

30 results in Jun Zheng in Authors: Jun Zheng

A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Robust Supramolecular Nano-Tunnels Built from Molecular Bricks

Linker Deficiency, Aromatic Ring Fusion and Electrocatalysis in a Porous Ni8 Pyrazolate Network

Aggregation-Induced Emission Luminogen: The New Perspective in Photo-Degradation of Organic Pollution

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Random Forest Refinement of Pairwise Potentials for Protein-ligand Decoy Detection

Aggregation-Induced Nonlinear Optical Effects of AIEgen Nanocrystals for Ultra-Deep in Vivo Bio-Imaging

Rational Engineering of Hydratase from Lactobacillus Acidophilus Reveals Critical Residues Directing Substrate Specificity and Regioselectivity

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Random Forest Refinement of the KECSA2 Knowledge-based Scoring Function for Protein Decoy Detection

30 results in Authors: Jun Zheng