Search

Theoretical and Computational Chemistry

Working Paper

D3Targets-2019-nCoV: A Web Server to Identify Potential Targets for Antivirals Against 2019-nCoV

Yulong Shi, Xinben Zhang, Kaijie Mu, Cheng Peng, Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Zhijian Xu, weiliang zhu

Version 1 posted 11 February 2020

1,423

Downloads

1

Citations

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

1,355

Downloads

2

Citations

Theoretical and Computational Chemistry

Working Paper

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

Cheng Peng, Zhengdan Zhu, Yulong Shi, Xiaoyu Wang, Kaijie Mu, Yanqing Yang, Xinben Zhang, Zhijian Xu, weiliang zhu

Version 2 posted 30 June 2020

3,409

Downloads

3

Citations

Theoretical and Computational Chemistry

Working Paper

D3Similarity: A Ligand-Based Approach for Predicting Drug Targets and for Virtual Screening of Active Compounds Against COVID-19

Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Xinben Zhang, Kaijie Mu, Yulong Shi, Cheng Peng, Zhijian Xu, weiliang zhu

Version 1 posted 10 March 2020

1,396

Downloads

3

Citations

Theoretical and Computational Chemistry

Working Paper

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Leyun Wu, Liping Zhou, Mengxia Mo, Yishui Li, Jiaxin Han, Jintian Li, Yanqing Yang, Xinben Zhang, Chunye Gong, Kai Lu, Likun Gong, Chengkun Wu, Weiliang Zhu, Zhijian Xu

Version 1 posted 07 December 2021

1,125

Downloads

8

Citations

Theoretical and Computational Chemistry

Working Paper

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

Liping Zhou, Leyun Wu, Cheng Peng, Yanqing Yang, Yulong Shi, Zhijian Xu, Weiliang Zhu

Version 1 posted 01 September 2021

774

Downloads

Organic Chemistry

Working Paper

Naphthalene Diimide-Embedded Donor-Acceptor Carbon Nanohoops: Photophysical, Photoconductive and Charge Transport Properties

Shengzhu Guo, Lin Liu, Linshan Liu, Yanqing Fan, Huiji Yang, Jing He, Ying Wang, Zhishan Bo, Xuebo Chen, Xinjun Xu, Hua Jiang

Version 1 posted 23 October 2024

267

Downloads

Organic Chemistry

Working Paper

Neutral and Dicationic [5]helicene-embedded Cycloparaphenylene Nanohoops with Möbius Topology and Local/In-Plane Aromaticity

Huiji Yang, Shengzhu Guo, Weijie Guo, Lin Liu, Xiaoyu Liu, Jing He, Yanqing Fan, Zhe Lian, Xiaonan Li, Shu Huang, Xuebo Chen, Ying Wang, Hua Jiang

Version 2 posted 29 October 2024

732

Downloads

Catalysis

Working Paper

Interpreting Chemisorption Strength with AutoML-based Feature Deletion Experiments

Zhuo Li, Changquan Zhao, Haikun Wang, Yanqing Ding, Yechao Chen, Philippe Schwaller, Ke Yang, Cheng Hua, Yulian He

Version 1 posted 09 November 2023

280

Downloads

Refine Search

9 results in Yanqing Yang in Authors: Yanqing Yang

D3Targets-2019-nCoV: A Web Server to Identify Potential Targets for Antivirals Against 2019-nCoV

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

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

D3Similarity: A Ligand-Based Approach for Predicting Drug Targets and for Virtual Screening of Active Compounds Against COVID-19

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

Naphthalene Diimide-Embedded Donor-Acceptor Carbon Nanohoops: Photophysical, Photoconductive and Charge Transport Properties

Neutral and Dicationic [5]helicene-embedded Cycloparaphenylene Nanohoops with Möbius Topology and Local/In-Plane Aromaticity

Interpreting Chemisorption Strength with AutoML-based Feature Deletion Experiments

9 results in Authors: Yanqing Yang