Search

Physical Chemistry

Working Paper

Testing the Limitations of MD-based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case

Jacek Kozuch, Samuel Schneider, Chu Zheng, Zhe Ji, Richard T Bradshaw, Steven Boxer

Version 1 posted 22 January 2021

631

Downloads

Physical Chemistry

Working Paper

Relaxed structure of typical nitro explosives in the excited state: observation, implication and application

Genbai Chu, Zuhua Yang, Tao Xi, Jianting Xin, Yongqiang Zhao, Weihua He, Min Shui, Yuqiu Gu, Ying Xiong, Tao Xu

Version 2 posted 13 November 2017

912

Downloads

Biological and Medicinal Chemistry

Working Paper

High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT)

Rocco Policarpo, Ludovic Decultot, Elizabeth May, Petr Kuzmič, Samuel Carlson, Danny Huang, Vincent Chu, Brandon Wright, Saravanakumar Dhakshinamoorthy, Aimo Kannt, Shilpa Rani, Sreekanth Dittakavi, Joseph Panarese, Rachelle Gaudet, Matthew Shair

Version 1 posted 18 April 2019

782

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Aurivillius Halide Perovskite: A New Family of Two-Dimensional Materials for Optoelectronic Applications

Shuai Zhao, Chunfeng Lan, Huanhuan Li, Chu Zhang, Tingli Ma

Version 1 posted 06 September 2019

751

Downloads

Theoretical and Computational Chemistry

Working Paper

A QM/MM Study of Acylphosphatase Reveals the Nucleophilic-Attack and Ensuing Carbonyl-Assisted Catalytic Mechanisms

zheng zhao, Phil bourne, Hao Hu, Huanyu Chu

Version 1 posted 16 March 2020

572

Downloads

Biological and Medicinal Chemistry

Working Paper

Multi-Targeting of Functional Cysteines in Multiple Conserved SARS-CoV-2 Domains by Clinically Safe Zn-ejectors

Karen Sargsyan, Chien-Chu Lin, Ting Chen, Cédric Grauffel, Yi-Ping Chen, Wei-Zeng Yang, Hanna S. Yuan, Carmay Lim

Version 2 posted 07 May 2020

1,036

Downloads

Biological and Medicinal Chemistry

Working Paper

A Volatile Signal Controls Virulence in the Plant Pathogen Pseudomonas syringae pv. syringae and a Strategy for Infection Control in Organic Farming

Simon Sieber, Anugraha Mathew, Christian Jenul, Tobias Kohler, Max Bär, Victor J. Carrion, Francisco M. Cazorla, Urs Stalder, Ya-Chu Hsieh, Laurent Bigler, Leo Eberl, Karl Gademann

Version 1 posted 03 September 2020

437

Downloads

1

Citations

Catalysis

Working Paper

Insights in Catalytic Denitrogenation and Deoxygenation on Whole Molecules and Aromatic Cores of Dongming Coal in Four Solvents by Using Ion-Source Collision-Activated Dissociation Mass Spectrometry

Xueming Dong, Chu-Fan Wang, Xing Fan, Ge Wu, Yun-Peng Zhao, Xian-Yong Wei, Feng-Yun Ma

Version 1 posted 26 February 2018

630

Downloads

Analytical Chemistry

Working Paper

Potential Non-Covalent SARS-CoV-2 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches and Reviewed by Human Medicinal Chemist in Virtual Reality

Alex Zhavoronkov, Bogdan Zagribelnyy, Alexander Zhebrak, Vladimir Aladinskiy, Victor Terentiev, Quentin Vanhaelen, Dmitry S. Bezrukov, Daniil Polykovskiy, Rim Shayakhmetov, Andrey Filimonov, Michael Bishop, Steve McCloskey, Edgardo Leija, Deborah Bright, Keita Funakawa, Yen-Chu Lin, Shih-Hsien Huang, Hsuan-Jen Liao, Alex Aliper, Yan Ivanenkov

Version 1 posted 19 May 2020

2,707

Downloads

15

Citations

Organic Chemistry

Working Paper

Asymmetric Synthesis of Chiral-at-Iridium Complexes through Pd-Catalyzed Kinetic Resolution

Yun-Peng Chu, Xue-Lin Yue, De-Hai Liu, Jiajia Ma

Version 2 posted 25 April 2024

748

Downloads

Refine Search

59 results in An Chu in Authors: An Chu

Testing the Limitations of MD-based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case

Relaxed structure of typical nitro explosives in the excited state: observation, implication and application

High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT)

Aurivillius Halide Perovskite: A New Family of Two-Dimensional Materials for Optoelectronic Applications

A QM/MM Study of Acylphosphatase Reveals the Nucleophilic-Attack and Ensuing Carbonyl-Assisted Catalytic Mechanisms

Multi-Targeting of Functional Cysteines in Multiple Conserved SARS-CoV-2 Domains by Clinically Safe Zn-ejectors

A Volatile Signal Controls Virulence in the Plant Pathogen Pseudomonas syringae pv. syringae and a Strategy for Infection Control in Organic Farming

Insights in Catalytic Denitrogenation and Deoxygenation on Whole Molecules and Aromatic Cores of Dongming Coal in Four Solvents by Using Ion-Source Collision-Activated Dissociation Mass Spectrometry

Potential Non-Covalent SARS-CoV-2 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches and Reviewed by Human Medicinal Chemist in Virtual Reality

Asymmetric Synthesis of Chiral-at-Iridium Complexes through Pd-Catalyzed Kinetic Resolution

59 results in Authors: An Chu