Martyna GJ - Search Results

1

Solution structure of the aqueous model peptide N-methylacetamide.

Allison SK, Bates SP, Crain J, Martyna GJ. Allison SK, et al. Among authors: martyna gj. J Phys Chem B. 2006 Oct 26;110(42):21319-26. doi: 10.1021/jp064154y. J Phys Chem B. 2006. PMID: 17048961

2

Structure and hydrogen bonding in neat N-methylacetamide: classical molecular dynamics and Raman spectroscopy studies of a liquid of peptidic fragments.

Whitfield TW, Martyna GJ, Allison S, Bates SP, Vass H, Crain J. Whitfield TW, et al. Among authors: martyna gj. J Phys Chem B. 2006 Mar 2;110(8):3624-37. doi: 10.1021/jp053140+. J Phys Chem B. 2006. PMID: 16494418

3

Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction.

Troitzsch RZ, Martyna GJ, McLain SE, Soper AK, Crain J. Troitzsch RZ, et al. Among authors: martyna gj. J Phys Chem B. 2007 Jul 19;111(28):8210-22. doi: 10.1021/jp0714973. Epub 2007 Jun 26. J Phys Chem B. 2007. PMID: 17592868

4

Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations.

Troitzsch RZ, Vass H, Hossack WJ, Martyna GJ, Crain J. Troitzsch RZ, et al. Among authors: martyna gj. J Phys Chem B. 2008 Apr 10;112(14):4290-7. doi: 10.1021/jp076713m. Epub 2008 Mar 15. J Phys Chem B. 2008. PMID: 18341318

5

A simplified model of local structure in aqueous proline amino acid revealed by first-principles molecular dynamics simulations.

Troitzsch RZ, Tulip PR, Crain J, Martyna GJ. Troitzsch RZ, et al. Among authors: martyna gj. Biophys J. 2008 Dec;95(11):5014-20. doi: 10.1529/biophysj.108.134916. Epub 2008 Sep 12. Biophys J. 2008. PMID: 18790850 Free PMC article.

6

Membrane mediated regulation in free peptides of HIV-1 gp41: minimal modulation of the hemifusion phase.

Cerasoli E, Ravi J, Gregor C, Hussain R, Siligardi G, Martyna G, Crain J, Ryadnov MG. Cerasoli E, et al. Phys Chem Chem Phys. 2012 Jan 21;14(3):1277-85. doi: 10.1039/c1cp23155c. Epub 2011 Dec 2. Phys Chem Chem Phys. 2012. PMID: 22139400

7

Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics.

Whitfield TW, Crain J, Martyna GJ. Whitfield TW, et al. Among authors: martyna gj. J Chem Phys. 2006 Mar 7;124(9):94503. doi: 10.1063/1.2150432. J Chem Phys. 2006. PMID: 16526863

8

Conformational plasticity in an HIV-1 antibody epitope.

Tulip PR, Gregor CR, Troitzsch RZ, Martyna GJ, Cerasoli E, Tranter G, Crain J. Tulip PR, et al. Among authors: martyna gj. J Phys Chem B. 2010 Jun 17;114(23):7942-50. doi: 10.1021/jp100929n. J Phys Chem B. 2010. PMID: 20491462

9

Electronically coarse-grained model for water.

Jones A, Cipcigan F, Sokhan VP, Crain J, Martyna GJ. Jones A, et al. Among authors: martyna gj. Phys Rev Lett. 2013 May 31;110(22):227801. doi: 10.1103/PhysRevLett.110.227801. Epub 2013 May 31. Phys Rev Lett. 2013. PMID: 23767748

10

Autonomous folding in the membrane proximal HIV peptide gp41(659-671): pH tuneability at micelle interfaces.

Gregor CR, Cerasoli E, Tulip PR, Ryadnov MG, Martyna GJ, Crain J. Gregor CR, et al. Among authors: martyna gj. Phys Chem Chem Phys. 2011 Jan 7;13(1):127-35. doi: 10.1039/c0cp01502d. Epub 2010 Nov 8. Phys Chem Chem Phys. 2011. PMID: 21057682

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