Jinan Wang

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 40

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Journal of medicinal chemistry

Expert opinion on drug discovery

University of Kansas

Sichuan University (BSC)

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

Affiliation History

University of Kansas Mar 01 2018

United States

post-doc :: Center for Computational Biology and Department of Molecular Biosciences

Shanghai Institute of Materia Medica Chinese Academy of Sciences Sep 01 2015 - Feb 28 2018

China

Research assistant :: DDDC

Shanghai Institute of Materia Medica Chinese Academy of Sciences Aug 01 2013 - Sep 01 2015

China

PostDoc

Education History

Sichuan University Sep 01 2004 - Jul 01 2008

China

BSC :: Chemistry College

Publications

Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Victor A Adediwura, Kushal Koirala, Hung Nguyen Do, Jinan Wang, Yinglong Miao
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery. Expert opinion on drug discovery 19 (6) (2024)
Victor A Adediwura, Kushal Koirala, Hung Nguyen Do, Jinan Wang, Yinglong Miao
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery. Expert opinion on drug discovery 19 (6) (2024)
Victor A Adediwura, Kushal Koirala, Hung Nguyen Do, Jinan Wang, Yinglong Miao
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery. Expert opinion on drug discovery 19 (6) (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Victor A Adediwura, Kushal Koirala, Hung Nguyen Do, Jinan Wang, Yinglong Miao
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery. Expert opinion on drug discovery (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Sana Akhter, Zhichao Tang, Jinan Wang, Mercy Haboro, Erik D Holmstrom, Jingxin Wang, Yinglong Miao
Mechanism of Ligand Binding to Theophylline RNA Aptamer. Journal of chemical information and modeling 64 (3) (2024)
Jinan Wang, Yinglong Miao
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket. Journal of chemical theory and computation 19 (3) (2023)
Jinan Wang, Yinglong Miao
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket. Journal of chemical theory and computation (2023)
Hung Nguyen Do, Jinan Wang, Yinglong Miao
Deep Learning Dynamic Allostery of G-Protein-Coupled Receptors. JACS Au 3 (11) (2023)
Jinan Wang, Hung N Do, Kushal Koirala, Yinglong Miao
Predicting Biomolecular Binding Kinetics: A Review. Journal of chemical theory and computation (2023)
Xiaoqing Wu, Remya Ramesh, Jinan Wang, Youguang Zheng, Ahlam M Armaly, Lanjing Wei, Minli Xing, Sudeshna Roy, Lan Lan, Fei Philip Gao, Yinglong Miao, Liang Xu, Jeffrey Aube
Small Molecules Targeting the RNA-Binding Protein HuR Inhibit Tumor Growth in Xenografts. Journal of medicinal chemistry 66 (3) (2023)
Xiaoqing Wu, Remya Ramesh, Jinan Wang, Youguang Zheng, Ahlam M Armaly, Lanjing Wei, Minli Xing, Sudeshna Roy, Lan Lan, Fei Philip Gao, Yinglong Miao, Liang Xu, Jeffrey Aube
Small Molecules Targeting the RNA-Binding Protein HuR Inhibit Tumor Growth in Xenografts. Journal of medicinal chemistry 66 (3) (2023)
Xiaoqing Wu, Remya Ramesh, Jinan Wang, Youguang Zheng, Ahlam M Armaly, Lanjing Wei, Minli Xing, Sudeshna Roy, Lan Lan, Fei Philip Gao, Yinglong Miao, Liang Xu, Jeffrey Aube
Small Molecules Targeting the RNA-Binding Protein HuR Inhibit Tumor Growth in Xenografts. Journal of medicinal chemistry 66 (3) (2023)
Xiaoqing Wu, Remya Ramesh, Jinan Wang, Youguang Zheng, Ahlam M Armaly, Lanjing Wei, Minli Xing, Sudeshna Roy, Lan Lan, Fei Philip Gao, Yinglong Miao, Liang Xu, Jeffrey Aube
Small Molecules Targeting the RNA-Binding Protein HuR Inhibit Tumor Growth in Xenografts. Journal of medicinal chemistry 66 (3) (2023)
Xiaoqing Wu, Remya Ramesh, Jinan Wang, Youguang Zheng, Ahlam M Armaly, Lanjing Wei, Minli Xing, Sudeshna Roy, Lan Lan, Fei Philip Gao, Yinglong Miao, Liang Xu, Jeffrey Aube
Small Molecules Targeting the RNA-Binding Protein HuR Inhibit Tumor Growth in Xenografts. Journal of medicinal chemistry (2023)
Jinan Wang, Yinglong Miao
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket. Journal of chemical theory and computation 19 (3) (2023)
Jinan Wang, Apurba Bhattarai, Hung N Do, Sana Akhter, Yinglong Miao
Molecular Simulations and Drug Discovery of Adenosine Receptors. Molecules (Basel, Switzerland) 27 (7) (2022)
Shristi Pawnikar, Apurba Bhattarai, Jinan Wang, Yinglong Miao
Binding Analysis Using Accelerated Molecular Dynamics Simulations and Future Perspectives. Advances and applications in bioinformatics and chemistry : AABC 15 (2022)
Jinan Wang, Yinglong Miao
Protein-Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and Kinetics. Journal of chemical theory and computation 18 (3) (2022)
Apurba Bhattarai, Sujan Devkota, Hung Nguyen Do, Jinan Wang, Sanjay Bhattarai, Michael S Wolfe, Yinglong Miao
Mechanism of Tripeptide Trimming of Amyloid β-Peptide 49 by γ-Secretase. Journal of the American Chemical Society 144 (14) (2022)
Hung N Do, Jinan Wang, Apurba Bhattarai, Yinglong Miao
GLOW: A Workflow Integrating Gaussian-Accelerated Molecular Dynamics and Deep Learning for Free Energy Profiling. Journal of chemical theory and computation 18 (3) (2022)
Matthew M Copeland, Hung N Do, Lane William Votapka, Keya Joshi, Jinan Wang, Rommie Elizabeth Amaro, Yinglong Miao
Gaussian Accelerated Molecular Dynamics in OpenMM. The journal of physical chemistry. B 126 (31) (2022)
Apurba Bhattarai, Sujan Devkota, Hung Nguyen Do, Jinan Wang, Sanjay Bhattarai, Michael S Wolfe, Yinglong Miao
Correction to "Mechanism of Tripeptide Trimming of Amyloid β-Peptide 49 by γ-Secretase". Journal of the American Chemical Society 144 (20) (2022)
Jinan Wang, Yinglong Miao
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding. The Journal of chemical physics 153 (15) (2021)
Jinan Wang, Pablo R Arantes, Apurba Bhattarai, Rohaine V Hsu, Shristi Pawnikar, Yu-Ming M Huang, Giulia Palermo, Yinglong Miao
Gaussian accelerated molecular dynamics (GaMD): principles and applications. Wiley interdisciplinary reviews. Computational molecular science 11 (5) (2021)
Christopher J Draper-Joyce, Rebecca Bhola, Jinan Wang, Apurba Bhattarai, Anh T N Nguyen, India Cowie-Kent, Kelly O'Sullivan, Ling Yeong Chia, Hariprasad Venugopal, Celine Valant, David M Thal, Denise Wootten, Nicolas Panel, Jens Carlsson, Macdonald J Christie, Paul J White, Peter Scammells, Lauren T May, Patrick M Sexton, Radostin Danev, Yinglong Miao, Alisa Glukhova, Wendy L Imlach, Arthur Christopoulos
Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia. Nature 597 (7877) (2021)
Carina Höring, Marcus Conrad, Christian A Söldner, Jinan Wang, Heinrich Sticht, Andrea Strasser, Yinglong Miao
Specific Engineered G Protein Coupling to Histamine Receptors Revealed from Cellular Assay Experiments and Accelerated Molecular Dynamics Simulations. International journal of molecular sciences 22 (18) (2021)
Yinglong Miao, Apurba Bhattarai, Jinan Wang
Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics. Journal of chemical theory and computation 16 (9) (2020)
Lan Lan, Jiajun Liu, Minli Xing, Amber R Smith, Jinan Wang, Xiaoqing Wu, Carl Appelman, Ke Li, Anuradha Roy, Ragul Gowthaman, John Karanicolas, Amber D Somoza, Clay C C Wang, Yinglong Miao, Roberto De Guzman, Berl R Oakley, Kristi L Neufeld, Liang Xu
Identification and Validation of an Aspergillus nidulans Secondary Metabolite Derivative as an Inhibitor of the Musashi-RNA Interaction. Cancers 12 (8) (2020)
Jinan Wang, Yinglong Miao
Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors. The journal of physical chemistry. B 123 (30) (2019)
Jianzhong Chen, Jinan Wang, Laixue Pang, Wei Wang, Juan Zhao, Weiliang Zhu
Deciphering molecular mechanism behind conformational change of the São Paolo metallo-β-lactamase 1 by using enhanced sampling. Journal of biomolecular structure & dynamics 39 (1) (2019)
Yu Wang, Cheng Peng, Guimin Wang, Zhijian Xu, Yongfeng Luo, Jinan Wang, Weiliang Zhu
Exploring binding mechanisms of VEGFR2 with three drugs lenvatinib, sorafenib, and sunitinib by molecular dynamics simulation and free energy calculation. Chemical biology & drug design 93 (5) (2019)
Jianzhong Chen, Jinan Wang, Fengbo Lai, Wei Wang, Laixue Pang, Weiliang Zhu
Dynamics revelation of conformational changes and binding modes of heat shock protein 90 induced by inhibitor associations. RSC advances 8 (45) (2018)
Jianzhong Chen, Jinan Wang, Laixue Pang, Weiliang Zhu
Inhibiting mechanism of small molecule toward the p53-MDM2 interaction: A molecular dynamic exploration. Chemical biology & drug design 92 (4) (2018)
Jianzhong Chen, Jinan Wang, Weiliang Zhu
Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling. Physical chemistry chemical physics : PCCP 19 (4) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jinan Wang