Arieh Warshel

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 39

Top Topics

Advanced Cancer

Molecular Dynamics Simulations

Tyrosine Kinase

Crystal Structure

Top Venues

Journal of the American Chemical Society

The journal of physical chemistry. B

National science review

This page only lists publications with an associated author ORCID identifier.

Publications

Yue Zhang, Kang Wu, Yuqing Li, Song Wu, Arieh Warshel, Chen Bai
Predicting Mutational Effects on Ca 2+ -Activated Chloride Conduction of TMEM16A Based on a Simulation Study. Journal of the American Chemical Society 146 (7) (2024)
Ashim Nandi, Aoxuan Zhang, Elad Arad, Raz Jelinek, Arieh Warshel
Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils. ACS catalysis 14 (7) (2024)
Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu, Wen Jun Xie, Zhongxin Xu, Suwei Dong, Arieh Warshel
Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach. Journal of the American Chemical Society 146 (20) (2024)
Yue Zhang, Kang Wu, Yuqing Li, Song Wu, Arieh Warshel, Chen Bai
Predicting Mutational Effects on Ca 2+ -Activated Chloride Conduction of TMEM16A Based on a Simulation Study. Journal of the American Chemical Society (2024)
Junfang Yan, Luonan Chen, Arieh Warshel, Chen Bai
Exploring the Activation Process of the Glycine Receptor. Journal of the American Chemical Society (2024)
Yue Zhang, Kang Wu, Yuqing Li, Song Wu, Arieh Warshel, Chen Bai
Predicting Mutational Effects on Ca 2+ -Activated Chloride Conduction of TMEM16A Based on a Simulation Study. Journal of the American Chemical Society 146 (7) (2024)
Yue Zhang, Kang Wu, Yuqing Li, Song Wu, Arieh Warshel, Chen Bai
Predicting Mutational Effects on Ca 2+ -Activated Chloride Conduction of TMEM16A Based on a Simulation Study. Journal of the American Chemical Society 146 (7) (2024)
Ashim Nandi, Aoxuan Zhang, Elad Arad, Raz Jelinek, Arieh Warshel
Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils. ACS catalysis 14 (7) (2024)
Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu, Wen Jun Xie, Zhongxin Xu, Suwei Dong, Arieh Warshel
Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach. Journal of the American Chemical Society (2024)
Ashim Nandi, Aoxuan Zhang, Elad Arad, Raz Jelinek, Arieh Warshel
Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils. ACS catalysis 14 (7) (2024)
Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu, Wen Jun Xie, Zhongxin Xu, Suwei Dong, Arieh Warshel
Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach. Journal of the American Chemical Society 146 (20) (2024)
Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu, Wen Jun Xie, Zhongxin Xu, Suwei Dong, Arieh Warshel
Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach. Journal of the American Chemical Society 146 (20) (2024)
Wen Jun Xie, Arieh Warshel
Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering. National science review 10 (12) (2023)
Wen Jun Xie, Arieh Warshel
Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering. National science review 10 (12) (2023)
Jiao Zhou, Xiaohong Sang, Juan Wang, Yan Xu, Jing An, Zhen Tao Chu, Arjun Saha, Arieh Warshel, Ziwei Huang
Elucidation of the α -Ketoamide Inhibition Mechanism: Revealing the Critical Role of the Electrostatic Reorganization Effect of Asp17 in the Active Site of the 20S Proteasome. ACS catalysis 13 (21) (2023)
Xiaohong Sang, Juan Wang, Jiao Zhou, Yan Xu, Jing An, Arieh Warshel, Ziwei Huang
A Chemical Strategy for the Degradation of the Main Protease of SARS-CoV-2 in Cells. Journal of the American Chemical Society (2023)
Jiao Zhou, Xiaohong Sang, Juan Wang, Yan Xu, Jing An, Zhen Tao Chu, Arjun Saha, Arieh Warshel, Ziwei Huang
Elucidation of the α -Ketoamide Inhibition Mechanism: Revealing the Critical Role of the Electrostatic Reorganization Effect of Asp17 in the Active Site of the 20S Proteasome. ACS catalysis 13 (21) (2023)
Jiao Zhou, Xiaohong Sang, Juan Wang, Yan Xu, Jing An, Zhen Tao Chu, Arjun Saha, Arieh Warshel, Ziwei Huang
Elucidation of the α -Ketoamide Inhibition Mechanism: Revealing the Critical Role of the Electrostatic Reorganization Effect of Asp17 in the Active Site of the 20S Proteasome. ACS catalysis 13 (21) (2023)
Wen Jun Xie, Arieh Warshel
Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering. National science review 10 (12) (2023)
Wen Jun Xie, Arieh Warshel
Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering. National science review 10 (12) (2023)
Mojgan Asadi, Gabriel Oanca, Arieh Warshel
Effect of Environmental Factors on the Catalytic Activity of Intramembrane Serine Protease. Journal of the American Chemical Society 144 (3) (2022)
Mojgan Asadi, Wen Jun Xie, Arieh Warshel
Exploring the Role of Chemical Reactions in the Selectivity of Tyrosine Kinase Inhibitors. Journal of the American Chemical Society 144 (36) (2022)
Mojgan Asadi, Arieh Warshel
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals. Journal of the American Chemical Society 145 (2) (2022)
Mojgan Asadi, Arieh Warshel
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals. Journal of the American Chemical Society 145 (2) (2022)
Mojgan Asadi, Arieh Warshel
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals. Journal of the American Chemical Society 145 (2) (2022)
Mojgan Asadi, Arieh Warshel
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals. Journal of the American Chemical Society (2022)
Mojgan Asadi, Arieh Warshel
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals. Journal of the American Chemical Society (2022)
Jiao Zhou, Arjun Saha, Ziwei Huang, Arieh Warshel
Fast and Effective Prediction of the Absolute Binding Free Energies of Covalent Inhibitors of SARS-CoV-2 Main Protease and 20S Proteasome. Journal of the American Chemical Society 144 (17) (2022)
Chen Bai, Junlin Wang, Geng Chen, Honghui Zhang, Ke An, Peiyi Xu, Yang Du, Richard D Ye, Arjun Saha, Aoxuan Zhang, Arieh Warshel
Predicting Mutational Effects on Receptor Binding of the Spike Protein of SARS-CoV-2 Variants. Journal of the American Chemical Society 143 (42) (2021)
Chen Bai, Junlin Wang, Dibyendu Mondal, Yang Du, Richard D Ye, Arieh Warshel
Exploring the Activation Process of the β2AR-Gs Complex. Journal of the American Chemical Society 143 (29) (2021)
Dibyendu Mondal, Arieh Warshel
Exploring the Mechanism of Covalent Inhibition: Simulating the Binding Free Energy of α-Ketoamide Inhibitors of the Main Protease of SARS-CoV-2. Biochemistry 59 (48) (2020)
Dibyendu Mondal, Vesselin Kolev, Arieh Warshel
Combinatorial Approach for Exploring Conformational Space and Activation Barriers in Computer-Aided Enzyme Design. ACS catalysis 10 (11) (2020)
Gabriel Oanca, Mojgan Asadi, Arjun Saha, Balajee Ramachandran, Arieh Warshel
Exploring the Catalytic Reaction of Cysteine Proteases. The journal of physical chemistry. B 124 (50) (2020)
Chen Bai, Arieh Warshel
Critical Differences between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV. The journal of physical chemistry. B 124 (28) (2020)
Chen Bai, Mojgan Asadi, Arieh Warshel
The catalytic dwell in ATPases is not crucial for movement against applied torque. Nature chemistry 12 (12) (2020)
Arjun Saha, Gabriel Oanca, Dibyendu Mondal, Arieh Warshel
Exploring the Proteolysis Mechanism of the Proteasomes. The journal of physical chemistry. B 124 (27) (2020)
Dibyendu Mondal, Jacob Florian, Arieh Warshel
Exploring the Effectiveness of Binding Free Energy Calculations. The journal of physical chemistry. B 123 (42) (2019)
Yarden Golan, Raphael Alhadeff, Arieh Warshel, Yehuda Gérard Assaraf
ZnT2 is an electroneutral proton-coupled vesicular antiporter displaying an apparent stoichiometry of two protons per zinc ion. PLoS computational biology 15 (3) (2019)
Hanwool Yoon, Li Na Zhao, Arieh Warshel
Exploring the Catalytic Mechanism of Cas9 Using Information Inferred from Endonuclease VII. ACS catalysis 9 (2) (2018)