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Items: 1 to 20 of 115

1.

Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor.

Miao Y, McCammon JA.

Proc Natl Acad Sci U S A. 2018 Mar 20;115(12):3036-3041. doi: 10.1073/pnas.1800756115. Epub 2018 Mar 5.

2.

Graded activation and free energy landscapes of a muscarinic G-protein-coupled receptor.

Miao Y, McCammon JA.

Proc Natl Acad Sci U S A. 2016 Oct 25;113(43):12162-12167. Epub 2016 Oct 10.

3.

Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor.

Kappel K, Miao Y, McCammon JA.

Q Rev Biophys. 2015 Nov;48(4):479-87. doi: 10.1017/S0033583515000153. Review.

4.

Gaussian accelerated molecular dynamics for elucidation of drug pathways.

Bhattarai A, Miao Y.

Expert Opin Drug Discov. 2018 Nov;13(11):1055-1065. doi: 10.1080/17460441.2018.1538207. Epub 2018 Oct 29. Review.

5.

Conformational and Thermodynamic Landscape of GPCR Activation from Theory and Computation.

Dong SS, Goddard WA 3rd, Abrol R.

Biophys J. 2016 Jun 21;110(12):2618-2629. doi: 10.1016/j.bpj.2016.04.028.

6.

Activation and dynamic network of the M2 muscarinic receptor.

Miao Y, Nichols SE, Gasper PM, Metzger VT, McCammon JA.

Proc Natl Acad Sci U S A. 2013 Jul 2;110(27):10982-7. doi: 10.1073/pnas.1309755110. Epub 2013 Jun 18.

7.

Ligand Binding Pathways and Conformational Transitions of the HIV Protease.

Miao Y, Huang YM, Walker RC, McCammon JA, Chang CA.

Biochemistry. 2018 Mar 6;57(9):1533-1541. doi: 10.1021/acs.biochem.7b01248. Epub 2018 Feb 15.

8.

Allosteric modulation in monomers and oligomers of a G protein-coupled receptor.

Shivnaraine RV, Kelly B, Sankar KS, Redka DS, Han YR, Huang F, Elmslie G, Pinto D, Li Y, Rocheleau JV, Gradinaru CC, Ellis J, Wells JW.

Elife. 2016 May 6;5. pii: e11685. doi: 10.7554/eLife.11685.

9.

Differences between G-Protein-Stabilized Agonist-GPCR Complexes and their Nanobody-Stabilized Equivalents.

Saleh N, Ibrahim P, Clark T.

Angew Chem Int Ed Engl. 2017 Jul 24;56(31):9008-9012. doi: 10.1002/anie.201702468. Epub 2017 Jul 3.

PMID:
28481446
10.

Nanobodies to Study G Protein-Coupled Receptor Structure and Function.

Manglik A, Kobilka BK, Steyaert J.

Annu Rev Pharmacol Toxicol. 2017 Jan 6;57:19-37. doi: 10.1146/annurev-pharmtox-010716-104710. Epub 2016 Dec 7. Review.

11.

Structural Mechanisms of Voltage Sensing in G Protein-Coupled Receptors.

Vickery ON, Machtens JP, Tamburrino G, Seeliger D, Zachariae U.

Structure. 2016 Jun 7;24(6):997-1007. doi: 10.1016/j.str.2016.04.007. Epub 2016 May 19.

12.

Gaussian Accelerated Molecular Dynamics in NAMD.

Pang YT, Miao Y, Wang Y, McCammon JA.

J Chem Theory Comput. 2017 Jan 10;13(1):9-19. doi: 10.1021/acs.jctc.6b00931. Epub 2016 Dec 30.

13.

Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics.

Miao Y, Nichols SE, McCammon JA.

Phys Chem Chem Phys. 2014 Apr 14;16(14):6398-406. doi: 10.1039/c3cp53962h. Epub 2014 Jan 21.

14.

Affinity enhancement of nanobody binding to EGFR: in silico site-directed mutagenesis and molecular dynamics simulation approaches.

Farasat A, Rahbarizadeh F, Hosseinzadeh G, Sajjadi S, Kamali M, Keihan AH.

J Biomol Struct Dyn. 2017 Jun;35(8):1710-1728. doi: 10.1080/07391102.2016.1192065. Epub 2016 Oct 3.

PMID:
27691399
15.

Mapping of allosteric druggable sites in activation-associated conformers of the M2 muscarinic receptor.

Miao Y, Nichols SE, McCammon JA.

Chem Biol Drug Des. 2014 Feb;83(2):237-46. doi: 10.1111/cbdd.12233. Epub 2013 Oct 30.

16.

Regulation of β2-adrenergic receptor function by conformationally selective single-domain intrabodies.

Staus DP, Wingler LM, Strachan RT, Rasmussen SG, Pardon E, Ahn S, Steyaert J, Kobilka BK, Lefkowitz RJ.

Mol Pharmacol. 2014 Mar;85(3):472-81. doi: 10.1124/mol.113.089516. Epub 2013 Dec 6.

17.

G-protein coupled receptors: advances in simulation and drug discovery.

Miao Y, McCammon JA.

Curr Opin Struct Biol. 2016 Dec;41:83-89. doi: 10.1016/j.sbi.2016.06.008. Epub 2016 Jun 22. Review.

18.

Ligand-Triggered Structural Changes in the M2 Muscarinic Acetylcholine Receptor.

Jiménez-Rosés M, Matsoukas MT, Caltabiano G, Cordomí A.

J Chem Inf Model. 2018 May 29;58(5):1074-1082. doi: 10.1021/acs.jcim.8b00108. Epub 2018 May 2.

PMID:
29671585
19.

Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.

Staus DP, Strachan RT, Manglik A, Pani B, Kahsai AW, Kim TH, Wingler LM, Ahn S, Chatterjee A, Masoudi A, Kruse AC, Pardon E, Steyaert J, Weis WI, Prosser RS, Kobilka BK, Costa T, Lefkowitz RJ.

Nature. 2016 Jul 21;535(7612):448-52. Epub 2016 Jul 13.

20.

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor.

Bock A, Bermudez M, Krebs F, Matera C, Chirinda B, Sydow D, Dallanoce C, Holzgrabe U, De Amici M, Lohse MJ, Wolber G, Mohr K.

J Biol Chem. 2016 Jul 29;291(31):16375-89. doi: 10.1074/jbc.M116.735431. Epub 2016 Jun 13.

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