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Items: 13

1.

Exploring the Structure and Stability of Cholesterol Dimer Formation in Multicomponent Lipid Bilayers.

Bandara A, Panahi A, Pantelopulos GA, Straub JE.

J Comput Chem. 2019 Oct 5;40(26):2348. doi: 10.1002/jcc.26039. Epub 2019 Jul 30. No abstract available.

PMID:
31418884
2.

Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture.

Bandara A, Panahi A, Pantelopulos GA, Nagai T, Straub JE.

J Chem Phys. 2019 May 28;150(20):204702. doi: 10.1063/1.5091450.

PMID:
31153187
3.

Aerosol-OT Surfactant Forms Stable Reverse Micelles in Apolar Solvent in the Absence of Water.

Urano R, Pantelopulos GA, Straub JE.

J Phys Chem B. 2019 Mar 21;123(11):2546-2557. doi: 10.1021/acs.jpcb.8b07847. Epub 2019 Mar 6.

PMID:
30688469
4.

Regimes of Complex Lipid Bilayer Phases Induced by Cholesterol Concentration in MD Simulation.

Pantelopulos GA, Straub JE.

Biophys J. 2018 Dec 4;115(11):2167-2178. doi: 10.1016/j.bpj.2018.10.011. Epub 2018 Oct 19.

PMID:
30414630
5.

Characterization of dynamics and mechanism in the self-assembly of AOT reverse micelles.

Urano R, Pantelopulos GA, Song S, Straub JE.

J Chem Phys. 2018 Oct 14;149(14):144901. doi: 10.1063/1.5042771.

PMID:
30316264
6.

Structure of APP-C991-99 and implications for role of extra-membrane domains in function and oligomerization.

Pantelopulos GA, Straub JE, Thirumalai D, Sugita Y.

Biochim Biophys Acta Biomembr. 2018 Apr 24. pii: S0005-2736(18)30112-3. doi: 10.1016/j.bbamem.2018.04.002. [Epub ahead of print]

PMID:
29702072
7.

Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures.

Pantelopulos GA, Nagai T, Bandara A, Panahi A, Straub JE.

J Chem Phys. 2017 Sep 7;147(9):095101. doi: 10.1063/1.4999709.

8.

Bridging Microscopic and Macroscopic Mechanisms of p53-MDM2 Binding with Kinetic Network Models.

Zhou G, Pantelopulos GA, Mukherjee S, Voelz VA.

Biophys J. 2017 Aug 22;113(4):785-793. doi: 10.1016/j.bpj.2017.07.009.

9.

Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers.

Bandara A, Panahi A, Pantelopulos GA, Straub JE.

J Comput Chem. 2017 Jun 15;38(16):1479-1488. doi: 10.1002/jcc.24516. Epub 2016 Oct 20. Erratum in: J Comput Chem. 2019 Oct 5;40(26):2348.

10.
11.

Specific Binding of Cholesterol to C99 Domain of Amyloid Precursor Protein Depends Critically on Charge State of Protein.

Panahi A, Bandara A, Pantelopulos GA, Dominguez L, Straub JE.

J Phys Chem Lett. 2016 Sep 15;7(18):3535-41. doi: 10.1021/acs.jpclett.6b01624. Epub 2016 Aug 26.

12.

On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics.

Nagai T, Pantelopulos GA, Takahashi T, Straub JE.

J Comput Chem. 2016 Aug 5;37(21):2017-28. doi: 10.1002/jcc.24430. Epub 2016 Jun 24.

PMID:
27338239
13.

Microsecond simulations of mdm2 and its complex with p53 yield insight into force field accuracy and conformational dynamics.

Pantelopulos GA, Mukherjee S, Voelz VA.

Proteins. 2015 Sep;83(9):1665-76. doi: 10.1002/prot.24852. Epub 2015 Jul 21.

PMID:
26138282

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