17SDG33370094/AHA/American Heart Association-American Stroke Association/United States[Grants and Funding] - Search Results

Year	Number of Results
2018	5
2019	4
2020	3
2021	3
2022	1
2024	0

1

Gaussian accelerated molecular dynamics (GaMD): principles and applications.

Wang J, Arantes PR, Bhattarai A, Hsu RV, Pawnikar S, Huang YM, Palermo G, Miao Y. Wang J, et al. Wiley Interdiscip Rev Comput Mol Sci. 2021 Sep-Oct;11(5):e1521. doi: 10.1002/wcms.1521. Epub 2021 Mar 1. Wiley Interdiscip Rev Comput Mol Sci. 2021. PMID: 34899998 Free PMC article.

2

Unique features of different classes of G-protein-coupled receptors revealed from sequence coevolutionary and structural analysis.

Do HN, Haldane A, Levy RM, Miao Y. Do HN, et al. Proteins. 2022 Feb;90(2):601-614. doi: 10.1002/prot.26256. Epub 2021 Oct 9. Proteins. 2022. PMID: 34599827 Free PMC article.

3

Positive allosteric mechanisms of adenosine A₁ receptor-mediated analgesia.

Draper-Joyce CJ, Bhola R, Wang J, Bhattarai A, Nguyen ATN, Cowie-Kent I, O'Sullivan K, Chia LY, Venugopal H, Valant C, Thal DM, Wootten D, Panel N, Carlsson J, Christie MJ, White PJ, Scammells P, May LT, Sexton PM, Danev R, Miao Y, Glukhova A, Imlach WL, Christopoulos A. Draper-Joyce CJ, et al. Nature. 2021 Sep;597(7877):571-576. doi: 10.1038/s41586-021-03897-2. Epub 2021 Sep 8. Nature. 2021. PMID: 34497422 Free PMC article.

4

Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics.

Miao Y, Bhattarai A, Wang J. Miao Y, et al. J Chem Theory Comput. 2020 Sep 8;16(9):5526-5547. doi: 10.1021/acs.jctc.0c00395. Epub 2020 Aug 7. J Chem Theory Comput. 2020. PMID: 32692556 Free PMC article.

5

Retrospective ensemble docking of allosteric modulators in an adenosine G-protein-coupled receptor.

Bhattarai A, Wang J, Miao Y. Bhattarai A, et al. Biochim Biophys Acta Gen Subj. 2020 Aug;1864(8):129615. doi: 10.1016/j.bbagen.2020.129615. Epub 2020 Apr 13. Biochim Biophys Acta Gen Subj. 2020. PMID: 32298791 Free PMC article.

6

Improved Modeling of Peptide-Protein Binding Through Global Docking and Accelerated Molecular Dynamics Simulations.

Wang J, Alekseenko A, Kozakov D, Miao Y. Wang J, et al. Front Mol Biosci. 2019 Oct 30;6:112. doi: 10.3389/fmolb.2019.00112. eCollection 2019. Front Mol Biosci. 2019. PMID: 31737642 Free PMC article.

7

G-Protein-Coupled Receptor-Membrane Interactions Depend on the Receptor Activation State.

Bhattarai A, Wang J, Miao Y. Bhattarai A, et al. J Comput Chem. 2020 Feb 15;41(5):460-471. doi: 10.1002/jcc.26082. Epub 2019 Oct 10. J Comput Chem. 2020. PMID: 31602675 Free PMC article.

8

Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors.

Wang J, Miao Y. Wang J, et al. J Phys Chem B. 2019 Aug 1;123(30):6462-6473. doi: 10.1021/acs.jpcb.9b04867. Epub 2019 Jul 22. J Phys Chem B. 2019. PMID: 31283874 Free PMC article.

9

Recent advances in computational studies of GPCR-G protein interactions.

Wang J, Miao Y. Wang J, et al. Adv Protein Chem Struct Biol. 2019;116:397-419. doi: 10.1016/bs.apcsb.2018.11.011. Epub 2019 Jan 3. Adv Protein Chem Struct Biol. 2019. PMID: 31036298 Free PMC article. Review.

10

Structural Basis for Binding of Allosteric Drug Leads in the Adenosine A₁ Receptor.

Miao Y, Bhattarai A, Nguyen ATN, Christopoulos A, May LT. Miao Y, et al. Sci Rep. 2018 Nov 15;8(1):16836. doi: 10.1038/s41598-018-35266-x. Sci Rep. 2018. PMID: 30442899 Free PMC article.

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