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Items: 1 to 50 of 147

1.

Robust Prediction of Resistance to Trimethoprim in Staphylococcus aureus.

Fowler PW, Cole K, Gordon NC, Kearns AM, Llewelyn MJ, Peto TEA, Crook DW, Walker AS.

Cell Chem Biol. 2018 Mar 15;25(3):339-349.e4. doi: 10.1016/j.chembiol.2017.12.009. Epub 2018 Jan 4.

PMID:
29307840
2.

Protein crowding and lipid complexity influence the nanoscale dynamic organization of ion channels in cell membranes.

Duncan AL, Reddy T, Koldsø H, Hélie J, Fowler PW, Chavent M, Sansom MSP.

Sci Rep. 2017 Nov 30;7(1):16647. doi: 10.1038/s41598-017-16865-6.

3.

Raman Deuterium Isotope Probing Reveals Microbial Metabolism at the Single-Cell Level.

Xu J, Zhu D, Ibrahim AD, Allen CCR, Gibson CM, Fowler PW, Song Y, Huang WE.

Anal Chem. 2017 Dec 19;89(24):13305-13312. doi: 10.1021/acs.analchem.7b03461. Epub 2017 Nov 28.

PMID:
29135226
4.

Near omni-conductors and insulators: Alternant hydrocarbons in the SSP model of ballistic conduction.

Fowler PW, Sciriha I, Borg M, Seville VE, Pickup BT.

J Chem Phys. 2017 Oct 28;147(16):164115. doi: 10.1063/1.4995544.

PMID:
29096467
5.

Bespoke Diblock Copolymer Nanoparticles Enable the Production of Relatively Stable Oil-in-Water Pickering Nanoemulsions.

Thompson KL, Cinotti N, Jones ER, Mable CJ, Fowler PW, Armes SP.

Langmuir. 2017 Nov 7;33(44):12616-12623. doi: 10.1021/acs.langmuir.7b02267. Epub 2017 Oct 26.

6.

Effect of the Southeast Asian Ovalocytosis Deletion on the Conformational Dynamics of Signal-Anchor Transmembrane Segment 1 of Red Cell Anion Exchanger 1 (AE1, Band 3, or SLC4A1).

Fowler PW, Sansom MS, Reithmeier RA.

Biochemistry. 2017 Feb 7;56(5):712-722. doi: 10.1021/acs.biochem.6b00966. Epub 2017 Jan 23.

7.

A Hückel source-sink-potential theory of Pauli spin blockade in molecular electronic devices.

Pickup BT, Fowler PW, Sciriha I.

J Chem Phys. 2016 Nov 28;145(20):204113.

PMID:
27908125
8.

An atlas of endohedral Sc2S cluster fullerenes.

Gan LH, Wu R, Tian JL, Fowler PW.

Phys Chem Chem Phys. 2016 Dec 21;19(1):419-425. doi: 10.1039/c6cp07370k.

PMID:
27905601
9.

From C(58) to C(62) and back: Stability, structural similarity, and ring current.

Gan LH, Wu R, Tian JL, Clarke J, Gibson C, Fowler PW.

J Comput Chem. 2017 Jan 30;38(3):144-151. doi: 10.1002/jcc.24661. Epub 2016 Nov 4.

PMID:
27813179
10.

Membrane stiffness is modified by integral membrane proteins.

Fowler PW, Hélie J, Duncan A, Chavent M, Koldsø H, Sansom MS.

Soft Matter. 2016 Sep 20;12(37):7792-7803.

11.
12.

Roles of Interleaflet Coupling and Hydrophobic Mismatch in Lipid Membrane Phase-Separation Kinetics.

Fowler PW, Williamson JJ, Sansom MS, Olmsted PD.

J Am Chem Soc. 2016 Sep 14;138(36):11633-42. doi: 10.1021/jacs.6b04880. Epub 2016 Aug 30.

13.

Membrane Compartmentalization Reducing the Mobility of Lipids and Proteins within a Model Plasma Membrane.

Koldsø H, Reddy T, Fowler PW, Duncan AL, Sansom MS.

J Phys Chem B. 2016 Sep 1;120(34):8873-81. doi: 10.1021/acs.jpcb.6b05846. Epub 2016 Aug 16.

14.

Determining the Effective Density and Stabilizer Layer Thickness of Sterically Stabilized Nanoparticles.

Akpinar B, Fielding LA, Cunningham VJ, Ning Y, Mykhaylyk OO, Fowler PW, Armes SP.

Macromolecules. 2016 Jul 26;49(14):5160-5171. Epub 2016 Jul 7.

15.

Structural interconnections and the role of heptagonal rings in endohedral trimetallic nitride template fullerenes.

Gan LH, Lei D, Fowler PW.

J Comput Chem. 2016 Jul;37(20):1907-13. doi: 10.1002/jcc.24407. Epub 2016 Jun 10.

PMID:
27282122
16.

Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.

Samsudin F, Parker JL, Sansom MSP, Newstead S, Fowler PW.

Cell Chem Biol. 2016 Feb 18;23(2):299-309. doi: 10.1016/j.chembiol.2015.11.015. Epub 2016 Jan 28.

17.

Perimeter ring currents in benzenoids from Pauling bond orders.

Fowler PW, Myrvold W, Jenkinson D, Bird WH.

Phys Chem Chem Phys. 2016 Apr 28;18(17):11756-64. doi: 10.1039/c5cp07000g.

PMID:
26762560
18.

A new approach to the method of source-sink potentials for molecular conduction.

Pickup BT, Fowler PW, Borg M, Sciriha I.

J Chem Phys. 2015 Nov 21;143(19):194105. doi: 10.1063/1.4935716.

PMID:
26590525
19.

Crystal Structures of the Extracellular Domain from PepT1 and PepT2 Provide Novel Insights into Mammalian Peptide Transport.

Beale JH, Parker JL, Samsudin F, Barrett AL, Senan A, Bird LE, Scott D, Owens RJ, Sansom MSP, Tucker SJ, Meredith D, Fowler PW, Newstead S.

Structure. 2015 Oct 6;23(10):1889-1899. doi: 10.1016/j.str.2015.07.016. Epub 2015 Aug 27.

20.

Distributed curvature and stability of fullerenes.

Fowler PW, Nikolić S, De Los Reyes R, Myrvold W.

Phys Chem Chem Phys. 2015 Sep 21;17(35):23257-64. doi: 10.1039/c5cp03643g. Epub 2015 Aug 18.

PMID:
26283188
21.

Determination of Effective Particle Density for Sterically Stabilized Carbon Black Particles: Effect of Diblock Copolymer Stabilizer Composition.

Growney DJ, Fowler PW, Mykhaylyk OO, Fielding LA, Derry MJ, Aragrag N, Lamb GD, Armes SP.

Langmuir. 2015 Aug 18;31(32):8764-73. doi: 10.1021/acs.langmuir.5b01651. Epub 2015 Aug 5.

22.

Alchembed: A Computational Method for Incorporating Multiple Proteins into Complex Lipid Geometries.

Jefferys E, Sands ZA, Shi J, Sansom MS, Fowler PW.

J Chem Theory Comput. 2015 Jun 9;11(6):2743-2754. Epub 2015 May 14.

23.

Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities.

Stuyver T, Fias S, De Proft F, Fowler PW, Geerlings P.

J Chem Phys. 2015 Mar 7;142(9):094103. doi: 10.1063/1.4913415.

PMID:
25747057
24.

Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion.

Reddy T, Shorthouse D, Parton DL, Jefferys E, Fowler PW, Chavent M, Baaden M, Sansom MSP.

Structure. 2015 Mar 3;23(3):584-597. doi: 10.1016/j.str.2014.12.019. Epub 2015 Feb 19.

25.

Gating topology of the proton-coupled oligopeptide symporters.

Fowler PW, Orwick-Rydmark M, Radestock S, Solcan N, Dijkman PM, Lyons JA, Kwok J, Caffrey M, Watts A, Forrest LR, Newstead S.

Structure. 2015 Feb 3;23(2):290-301. doi: 10.1016/j.str.2014.12.012.

26.

Tracking heavy water (D2O) incorporation for identifying and sorting active microbial cells.

Berry D, Mader E, Lee TK, Woebken D, Wang Y, Zhu D, Palatinszky M, Schintlmeister A, Schmid MC, Hanson BT, Shterzer N, Mizrahi I, Rauch I, Decker T, Bocklitz T, Popp J, Gibson CM, Fowler PW, Huang WE, Wagner M.

Proc Natl Acad Sci U S A. 2015 Jan 13;112(2):E194-203. doi: 10.1073/pnas.1420406112. Epub 2014 Dec 30.

27.

Planar homotropenylium cation: a transition state with reversed aromaticity.

Gibson CM, Havenith RW, Fowler PW, Jenneskens LW.

J Org Chem. 2015 Feb 6;80(3):1395-401. doi: 10.1021/jo502179k. Epub 2015 Jan 9.

PMID:
25526524
28.

Insights into the structural nature of the transition state in the Kir channel gating pathway.

Fowler PW, Bollepalli MK, Rapedius M, Nematian-Ardestani E, Shang L, Sansom MS, Tucker SJ, Baukrowitz T.

Channels (Austin). 2014;8(6):551-5. doi: 10.4161/19336950.2014.962371.

29.

NRas slows the rate at which a model lipid bilayer phase separates.

Jefferys E, Sansom MS, Fowler PW.

Faraday Discuss. 2014;169:209-23. doi: 10.1039/c3fd00131h. Epub 2014 Jun 6.

30.

State-dependent network connectivity determines gating in a K+ channel.

Bollepalli MK, Fowler PW, Rapedius M, Shang L, Sansom MS, Tucker SJ, Baukrowitz T.

Structure. 2014 Jul 8;22(7):1037-46. doi: 10.1016/j.str.2014.04.018. Epub 2014 Jun 26.

31.

The homotropenylium cation: a system with a pinched π ring current.

Lillington M, Havenith RW, Fowler PW, Baker J, Jenneskens LW.

Phys Chem Chem Phys. 2014 Jun 21;16(23):11566-72. doi: 10.1039/c4cp01075b. Epub 2014 May 7.

PMID:
24803165
32.

Writing with ring currents: selectively hydrogenated polycyclic aromatics as finite models of graphene and graphane.

Fowler PW, Gibson CM, Bean DE.

Proc Math Phys Eng Sci. 2014 Mar 8;470(2163):20130617. Review.

33.

Flexible gates generate occluded intermediates in the transport cycle of LacY.

Stelzl LS, Fowler PW, Sansom MS, Beckstein O.

J Mol Biol. 2014 Feb 6;426(3):735-51.

34.

Omni-conducting and omni-insulating molecules.

Fowler PW, Pickup BT, Todorova TZ, Borg M, Sciriha I.

J Chem Phys. 2014 Feb 7;140(5):054115. doi: 10.1063/1.4863559.

PMID:
24511930
35.

Rigidity of periodic and symmetric structures in nature and engineering.

Guest SD, Fowler PW, Power SC.

Philos Trans A Math Phys Eng Sci. 2013 Dec 30;372(2008):20130358. doi: 10.1098/rsta.2013.0358. Print 2014 Feb 13. No abstract available.

36.

Symmetry-extended counting rules for periodic frameworks.

Guest SD, Fowler PW.

Philos Trans A Math Phys Eng Sci. 2013 Dec 30;372(2008):20120029. doi: 10.1098/rsta.2012.0029. Print 2014 Feb 13.

37.

Energetics of Multi-Ion Conduction Pathways in Potassium Ion Channels.

Fowler PW, Abad E, Beckstein O, Sansom MS.

J Chem Theory Comput. 2013 Nov 12;9(11):5176-5189. Epub 2013 Oct 8.

38.

Detailed Examination of a Single Conduction Event in a Potassium Channel.

Fowler PW, Beckstein O, Abad E, Sansom MS.

J Phys Chem Lett. 2013 Sep 19;4(18):3104-3109. Epub 2013 Aug 29.

39.

Concurrence between current density, nucleus-independent chemical shifts, and aromatic stabilization energy: the case of isomeric [4]- and [5]phenylenes.

Gershoni-Poranne R, Gibson CM, Fowler PW, Stanger A.

J Org Chem. 2013 Aug 2;78(15):7544-53. doi: 10.1021/jo4011014. Epub 2013 Jul 22.

PMID:
23822822
40.

The pore of voltage-gated potassium ion channels is strained when closed.

Fowler PW, Sansom MS.

Nat Commun. 2013;4:1872. doi: 10.1038/ncomms2858.

41.

Capturing the elusive aromaticity of bicalicene.

Oziminski WP, Palusiak M, Dominikowska J, Krygowski TM, Havenith RW, Gibson CM, Fowler PW.

Phys Chem Chem Phys. 2013 Mar 7;15(9):3286-93. doi: 10.1039/c2cp43426a. Epub 2013 Jan 29.

PMID:
23358331
42.

Simulating the pyrolysis of polyazides: a mechanistic case study of the [[P(N3)6]- anion.

Domene C, Portius P, Fowler PW, Bernasconi L.

Inorg Chem. 2013 Feb 18;52(4):1747-54. doi: 10.1021/ic301178h. Epub 2013 Jan 28.

PMID:
23356450
43.

Stable isotope probing and Raman spectroscopy for monitoring carbon flow in a food chain and revealing metabolic pathway.

Li M, Huang WE, Gibson CM, Fowler PW, Jousset A.

Anal Chem. 2013 Feb 5;85(3):1642-9. doi: 10.1021/ac302910x. Epub 2013 Jan 14.

PMID:
23259452
44.

Counter-rotating spin-polarised ring currents in odd-electron carbocycles.

Soncini A, Fowler PW.

Chemistry. 2013 Jan 28;19(5):1740-6. doi: 10.1002/chem.201202572. Epub 2012 Dec 6.

PMID:
23225492
45.

Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols: stabilization of a cyclohexadienide anion intermediate by negative aromatic hyperconjugation.

Kudavalli JS, Rao SN, Bean DE, Sharma ND, Boyd DR, Fowler PW, Gronert S, Kamerlin SC, Keeffe JR, More O'Ferrall RA.

J Am Chem Soc. 2012 Aug 29;134(34):14056-69. doi: 10.1021/ja304366j. Epub 2012 Aug 16.

PMID:
22830996
46.

Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals.

Havenith RW, De Proft F, Jenneskens LW, Fowler PW.

Phys Chem Chem Phys. 2012 Jul 28;14(28):9897-905. doi: 10.1039/c2cp40647k. Epub 2012 Jun 18.

PMID:
22710275
47.

Alternating access mechanism in the POT family of oligopeptide transporters.

Solcan N, Kwok J, Fowler PW, Cameron AD, Drew D, Iwata S, Newstead S.

EMBO J. 2012 Aug 15;31(16):3411-21. doi: 10.1038/emboj.2012.157. Epub 2012 Jun 1.

48.

Correcting for a density distribution: particle size analysis of core-shell nanocomposite particles using disk centrifuge photosedimentometry.

Fielding LA, Mykhaylyk OO, Armes SP, Fowler PW, Mittal V, Fitzpatrick S.

Langmuir. 2012 Feb 7;28(5):2536-44. doi: 10.1021/la204841n. Epub 2012 Jan 20.

PMID:
22214311
49.

Hyperaromatic stabilization of arenium ions: cyclohexa- and cycloheptadienyl cations-experimental and calculated stabilities and ring currents.

Lawlor DA, Bean DE, Fowler PW, Keeffe JR, Kudavalli JS, O'Ferrall RA, Rao SN.

J Am Chem Soc. 2011 Dec 14;133(49):19729-42. doi: 10.1021/ja2071626. Epub 2011 Nov 17.

PMID:
22007633
50.

Ring currents in boron and carbon buckyballs, B80 and C60.

Bean DE, Muya JT, Fowler PW, Nguyen MT, Ceulemans A.

Phys Chem Chem Phys. 2011 Dec 14;13(46):20855-62. doi: 10.1039/c1cp22521a. Epub 2011 Oct 17.

PMID:
22005663

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