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Physical Chemistry

Working Paper

Car-Parrinello Monitor for More Robust Born-Oppenheimer Molecular Dynamics

Lee-Ping Wang, Chenchen Song

Version 2 posted 18 July 2019

792

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Biological and Medicinal Chemistry

Working Paper

SARS-CoV-2 and MERS-CoV spike protein binding studies support stable mimic of bound 9-O-acetylated sialic acids

Lisa Oh, Ajit Varki, Xi Chen, Lee-Ping Wang

Version 1 posted 20 July 2022

178

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1

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Theoretical and Computational Chemistry

Working Paper

Exploration and Validation of Force Field Design Protocols through QM-to-MM Mapping

Chris Ringrose, Joshua Horton, Lee-Ping Wang, Daniel Cole

Version 1 posted 21 December 2021

475

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Theoretical and Computational Chemistry

Working Paper

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Amanda Wang, Ryan Kingsbury, Matthew McDermott, Matthew Horton, Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, Kristin Persson

Version 1 posted 19 May 2021

1,791

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Theoretical and Computational Chemistry

Working Paper

Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

David Slochower, Niel Henriksen, Lee-Ping Wang, John Chodera, David Mobley, Michael Gilson

Version 2 posted 06 September 2019

1,642

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Physical Chemistry

Working Paper

Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data

Yudong Qiu, Paul S. Nerenberg, Teresa Head-Gordon, Lee-Ping Wang

Version 1 posted 23 April 2019

892

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Catalysis

Working Paper

Ternary Ruthenium Complex Hydrides for Ammonia Synthesis

Qianru Wang, Jaysree Pan, Jianping Guo, Heine Anton Hansen, Hua Xie, Ling Jiang, Lei Hua, Haiyang Li, Yeqin Guan, Peikun Wang, Wenbo Gao, Lin Liu, Hunjun Cao, Zhitao Xiong, Tejs Vegge, Ping Chen

Version 1 posted 22 December 2020

980

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1

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Polymer Science

Working Paper

Single Crystal of a One-dimensional Covalent Organic Framework

Haisen Xu, Yi Luo, Xing Li, Pei Zhen See, Zhongxin Chen, Tianqiong Ma, Lin Liang, Kai Leng, Ibrahim Abdelwahab, Lin Wang, Runlai Li, Xiangyan Shi, Yi Zhou, Xiu Fang Lu, Xiaoxu Zhao, Cuibo Liu, Junliang Sun, Kian Ping Loh

Version 1 posted 13 January 2020

1,461

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Biological and Medicinal Chemistry

Working Paper

Identification of Atovaquone and Mebendazole as Repurposed Drugs with Antiviral Activity against SARS-CoV-2 (Version 6)

Mahmoud Ahmed, Ayman Farag, Ian N. Boys, Ping Wang, Jennifer L. Eitson, Maikke B. Ohlson, Wenchun Fan, Matthew B. McDougal, Ivan Menendez-Montez, Ngoc Uyen Nhi Nguyen, Uyen Nhi Nguyen, Katrina Mar, Francisco Ortiz, Soo Young Kim, Noelle Williams, Andrew Lemoff lemoff, Ralph DeBerardinis, John W. Schoggins, Hesham Sadek

Version 7 posted 06 September 2021

10,663

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3

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Organic Chemistry

Working Paper

Biomimetic Synthesis of Hitorins A and B via an Intermolecular Alkoxy Radical-Olefin Coupling Cascade

Xiaohuan Li, Tianran Zhai, Ping He, Zheng Wei, Zhang Wang

Version 1 posted 24 September 2019

1,356

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1

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Refine Search

38 results in Ping Wang in Authors: Ping Wang

Car-Parrinello Monitor for More Robust Born-Oppenheimer Molecular Dynamics

SARS-CoV-2 and MERS-CoV spike protein binding studies support stable mimic of bound 9-O-acetylated sialic acids

Exploration and Validation of Force Field Design Protocols through QM-to-MM Mapping

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data

Ternary Ruthenium Complex Hydrides for Ammonia Synthesis

Single Crystal of a One-dimensional Covalent Organic Framework

Identification of Atovaquone and Mebendazole as Repurposed Drugs with Antiviral Activity against SARS-CoV-2 (Version 6)

Biomimetic Synthesis of Hitorins A and B via an Intermolecular Alkoxy Radical-Olefin Coupling Cascade

38 results in Authors: Ping Wang