Wang A - Search Results

1

Chemoproteomic Profiling of Signaling Metabolite Fructose-1,6-Bisphosphate Interacting Proteins in Living Cells.

Li T, Wang A, Zhang Y, Chen W, Guo Y, Yuan X, Liu Y, Geng Y. Li T, et al. Among authors: wang a. J Am Chem Soc. 2024 Jun 5;146(22):15155-15166. doi: 10.1021/jacs.4c01335. Epub 2024 May 22. J Am Chem Soc. 2024. PMID: 38775806

2

A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution.

Cui H, Lai R, Yuan S, Liao C, Wang A, Li G. Cui H, et al. Among authors: wang a. J Chem Theory Comput. 2023 Jul 11;19(13):4286-4298. doi: 10.1021/acs.jctc.3c00013. Epub 2023 Jun 12. J Chem Theory Comput. 2023. PMID: 37306495

3

A Multipole-Based Reactive Force Field for Hydrocarbons.

Weng J, Cui H, Zheng D, Zhou Z, Zhang D, Chu H, Wang A, Li G. Weng J, et al. Among authors: wang a. J Chem Theory Comput. 2024 Nov 26;20(22):10045-10058. doi: 10.1021/acs.jctc.4c01285. Epub 2024 Nov 4. J Chem Theory Comput. 2024. PMID: 39497480

4

A double bilayer to study the nonequilibrium environmental response of GIRK2 in complex states.

Weng J, Wang A, Zhang D, Liao C, Li G. Weng J, et al. Among authors: wang a. Phys Chem Chem Phys. 2021 Jul 28;23(29):15784-15795. doi: 10.1039/d1cp01785c. Phys Chem Chem Phys. 2021. PMID: 34286758

5

Higher Accuracy Achieved for Protein-Ligand Binding Pose Prediction by Elastic Network Model-Based Ensemble Docking.

Wang A, Zhang Y, Chu H, Liao C, Zhang Z, Li G. Wang A, et al. J Chem Inf Model. 2020 Jun 22;60(6):2939-2950. doi: 10.1021/acs.jcim.9b01168. Epub 2020 May 26. J Chem Inf Model. 2020. PMID: 32383873

6

Quantitative Lysine Reactivity Profiling Reveals Conformational Inhibition Dynamics and Potency of Aurora A Kinase Inhibitors.

Chen J, Wang A, Liu B, Zhou Y, Luo P, Zhang Z, Li G, Liu Q, Wang F. Chen J, et al. Among authors: wang f, wang a. Anal Chem. 2019 Oct 15;91(20):13222-13229. doi: 10.1021/acs.analchem.9b03647. Epub 2019 Sep 26. Anal Chem. 2019. PMID: 31525957

7

Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12).

Liu Y, Li Y, Li G, Wang A, Chu H. Liu Y, et al. Among authors: wang a. Arch Biochem Biophys. 2024 Oct;760:110137. doi: 10.1016/j.abb.2024.110137. Epub 2024 Aug 30. Arch Biochem Biophys. 2024. PMID: 39216733

8

Quality of force fields and sampling methods in simulating pepX peptides: a case study for intrinsically disordered proteins.

Wang A , Peng X , Li Y , Zhang D , Zhang Z , Li G . Wang A , et al. Phys Chem Chem Phys. 2021 Jan 28;23(3):2430-2437. doi: 10.1039/d0cp05484d. Phys Chem Chem Phys. 2021. PMID: 33459730

9

Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields.

Wang A, Zhang Z, Li G. Wang A, et al. J Phys Chem Lett. 2018 Dec 20;9(24):7110-7116. doi: 10.1021/acs.jpclett.8b03471. Epub 2018 Dec 7. J Phys Chem Lett. 2018. PMID: 30514082

10

RNA Folding Based on 5 Beads Model and Multiscale Simulation.

Zhang D, Gong L, Weng J, Li Y, Wang A, Li G. Zhang D, et al. Among authors: wang a. Interdiscip Sci. 2023 Sep;15(3):393-404. doi: 10.1007/s12539-023-00561-3. Epub 2023 Apr 28. Interdiscip Sci. 2023. PMID: 37115389

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