Scott E Feller

Scott E Feller

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Scott E Feller

Scott E Feller

Publications by authors named "Scott E Feller"

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41Publications

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All n-3 PUFA are not the same: MD simulations reveal differences in membrane organization for EPA, DHA and DPA.

Biochim Biophys Acta Biomembr 2018 May 3;1860(5):1125-1134. Epub 2018 Jan 3.

Department of Physics, IUPUI, Indianapolis, IN 46202-3273, United States. Electronic address:

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May 2018

α-Tocopherol Is Well Designed to Protect Polyunsaturated Phospholipids: MD Simulations.

Biophys J 2015 Oct;109(8):1608-18

Department of Physics, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana. Electronic address:

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October 2015

The orientation and dynamics of estradiol and estradiol oleate in lipid membranes and HDL disc models.

Biophys J 2014 Jul;107(1):114-25

Institute of Medical Physics and Biophysics, University of Leipzig, Leipzig, Germany; Department of Chemical Sciences, Tata Institute of Fundamental Research, Mumbai, India. Electronic address:

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July 2014

Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures.

Biochemistry 2014 Jan 8;53(2):376-85. Epub 2014 Jan 8.

Department of Biochemistry and Biophysics, University of Rochester Medical Center , Rochester, New York 14642, United States.

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January 2014

Retinal conformation governs pKa of protonated Schiff base in rhodopsin activation.

J Am Chem Soc 2013 Jun 11;135(25):9391-8. Epub 2013 Jun 11.

Department of Chemistry, Wabash College, Crawfordsville, Indiana 47933, United States.

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June 2013

Molecular dynamics simulations reveal specific interactions of post-translational palmitoyl modifications with rhodopsin in membranes.

J Am Chem Soc 2012 Mar 22;134(9):4324-31. Epub 2012 Feb 22.

Institute of Pharmacy, Martin-Luther-University Halle-Wittenberg, D-06120 Halle/Saale, Germany.

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March 2012

Molecular simulations and solid-state NMR investigate dynamical structure in rhodopsin activation.

Biochim Biophys Acta 2012 Feb 8;1818(2):241-51. Epub 2011 Aug 8.

Department of Chemistry and Biochemistry, University of Arizona, Tucson, AZ 85721, USA.

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February 2012

A reinterpretation of neutron scattering experiments on a lipidated Ras peptide using replica exchange molecular dynamics.

Biochim Biophys Acta 2012 Feb 18;1818(2):219-24. Epub 2011 Aug 18.

Institute of Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04275 Leipzig, Germany.

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February 2012

Headgroup conformations of phospholipids from molecular dynamics simulation: sampling challenges and comparison to experiment.

J Membr Biol 2012 Jan 9;245(1):23-8. Epub 2011 Dec 9.

Institute of Medical Physics and Biophysics, University of Leipzig, Leipzig, Germany.

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January 2012

Steric and electronic influences on the torsional energy landscape of retinal.

Biophys J 2011 Aug;101(3):L17-9

Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona, USA.

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August 2011

Solid-state (2)H NMR and MD simulations of positional isomers of a monounsaturated phospholipid membrane: structural implications of double bond location.

J Phys Chem B 2010 Sep;114(35):11474-83

Department of Physics, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana 46202-3273, USA.

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September 2010

Backbone conformational flexibility of the lipid modified membrane anchor of the human N-Ras protein investigated by solid-state NMR and molecular dynamics simulation.

Biochim Biophys Acta 2010 Feb 9;1798(2):275-85. Epub 2009 Oct 9.

Junior Research Group Structural Biology of Membrane Proteins, Martin Luther University Halle-Wittenberg, Kurt-Mothes-Str. 3, D-06120 Halle, Germany.

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February 2010

Effect of trans unsaturation on molecular organization in a phospholipid membrane.

Biochemistry 2009 Nov;48(46):11097-107

Department of Physics, Indiana University Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, Indiana 46202-3273, USA.

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November 2009

Molecular dynamics simulation study of correlated motions in phospholipid bilayer membranes.

J Phys Chem B 2009 Oct;113(40):13229-34

Department of Chemistry, Wabash College, Crawfordsville, Indiana 47933, USA.

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October 2009

Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations.

Proteins 2009 Aug;76(2):403-17

Department of Physiology and Biophysics, Weill Medical College of Cornell University, New York, New York 10021, USA.

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August 2009

Structural studies of HIV-1 Gag p6ct and its interaction with Vpr determined by solution nuclear magnetic resonance.

Biochemistry 2009 Mar;48(11):2355-67

Unité de Pharmacologie Chimique et Génétique, Inserm U640, CNRS UMR8151, UFR des Sciences Pharmaceutiques et Biologiques, 4, avenue de l'Observatoire, 75270 Paris Cedex 06, France.

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March 2009

Structure and dynamics of a fluid phase bilayer on a solid support as observed by a molecular dynamics computer simulation.

Langmuir 2008 Nov 11;24(21):12469-73. Epub 2008 Oct 11.

Department of Chemistry, Wabash College, Crawfordsville, IN 47933, USA.

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November 2008

Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data.

Biophys J 2008 Sep 23;95(5):2356-67. Epub 2008 May 23.

Canadian Neutron Beam Centre, National Research Council, Chalk River, Ontario K0J 1J0, Canada.

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September 2008

Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin.

J Mol Biol 2008 Aug 22;381(2):478-86. Epub 2008 May 22.

IBM TJ Watson Research Center, 1101 Kitchawan Road, PO Box 218, Yorktown Heights, NY 10598, USA.

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August 2008

Acyl chain conformations in phospholipid bilayers: a comparative study of docosahexaenoic acid and saturated fatty acids.

Authors:
Scott E Feller

Chem Phys Lipids 2008 May 29;153(1):76-80. Epub 2008 Feb 29.

Department of Chemistry, Wabash College, Crawfordsville, IN 47933, United States.

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May 2008

Molecular dynamics simulations as a complement to nuclear magnetic resonance and X-ray diffraction measurements.

Authors:
Scott E Feller

Methods Mol Biol 2007 ;400:89-102

Department of Chemistry, Wabash College, Crawfordsville, IN, USA.

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December 2007

Flexibility of ras lipid modifications studied by 2H solid-state NMR and molecular dynamics simulations.

Biophys J 2007 Oct 8;93(8):2697-712. Epub 2007 Jun 8.

Junior Research Group Structural Biology of Membrane Proteins, Institute of Biotechnology, Martin Luther University Halle-Wittenberg, Halle, Germany.

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October 2007

Dynamic structure of retinylidene ligand of rhodopsin probed by molecular simulations.

J Mol Biol 2007 Sep 26;372(4):906-17. Epub 2007 Jun 26.

Department of Biochemistry and Molecular Biophysics, University of Arizona, Tucson, AZ 85721, USA.

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September 2007

Convergence of molecular dynamics simulations of membrane proteins.

Proteins 2007 Apr;67(1):31-40

IBM T. J. Watson Research Center, Yorktown Heights, New York 10598, USA.

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April 2007

Retinal counterion switch mechanism in vision evaluated by molecular simulations.

J Am Chem Soc 2006 Dec;128(51):16502-3

Departments of Chemistry and Physics, University of Arizona, Tucson, AZ 85721, USA.

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December 2006

A role for direct interactions in the modulation of rhodopsin by omega-3 polyunsaturated lipids.

Proc Natl Acad Sci U S A 2006 Mar 17;103(13):4888-93. Epub 2006 Mar 17.

T. J. Watson Research Center, IBM, 1101 Kitchawan Road, Yorktown Heights, NY 10598, USA.

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March 2006

Properties of docosahexaenoic-acid-containing lipids and their influence on the function of rhodopsin.

Curr Opin Struct Biol 2005 Aug;15(4):416-22

Department of Chemistry, Wabash College, Crawfordsville, IN 47933, USA.

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August 2005

Evidence for a mechanism by which omega-3 polyunsaturated lipids may affect membrane protein function.

Biochemistry 2005 Aug;44(30):10164-9

Department of Chemistry, Wabash College, 301 West Wabash Avenue, Crawfordsville, Indiana 47933, USA.

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August 2005

Molecular dynamics investigation of the structural properties of phosphatidylethanolamine lipid bilayers.

J Chem Phys 2005 Jun;122(24):244714

IBM TJ Watson Research Center, Yorktown Heights, New York 10598, USA.

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June 2005

Molecular dynamics investigation of dynamical properties of phosphatidylethanolamine lipid bilayers.

J Chem Phys 2005 Jun;122(24):244715

IBM TJ Watson Research Center, Yorktown Heights, New York 10598, USA.

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June 2005

Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment.

J Am Chem Soc 2005 Apr;127(13):4576-7

IBM T. J. Watson Research Center, 1101 Kitchawan Road, P.O. Box 218, Yorktown Heights, NY 10598, USA.

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April 2005

Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol.

Biochemistry 2004 Dec;43(49):15318-28

IBM T. J. Watson Research Center, Yorktown Heights, New York 10598, USA.

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December 2004

Comparison of cis and trans fatty acid containing phosphatidylcholines on membrane properties.

Biochemistry 2004 May;43(20):6344-51

Department of Biology, Indiana University Purdue University Indianapolis, 723 West Michigan Street, Indianapolis, Indiana 46202-5132, USA.

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May 2004

Models to analyze small-angle neutron scattering from unilamellar lipid vesicles.

Phys Rev E Stat Nonlin Soft Matter Phys 2004 May 6;69(5 Pt 1):051903. Epub 2004 May 6.

Physics Department, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, USA.

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May 2004

Polyunsaturated docosahexaenoic vs docosapentaenoic acid-differences in lipid matrix properties from the loss of one double bond.

J Am Chem Soc 2003 May;125(21):6409-21

Contribution from the Laboratory of Membrane Biochemistry and Biophysics, National Institute on Alcohol Abuse and Alcoholism, National Institutes of Health, Rockville, Maryland 20852, USA.

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May 2003

Rhodopsin exhibits a preference for solvation by polyunsaturated docosohexaenoic acid.

J Am Chem Soc 2003 Apr;125(15):4434-5

Department of Chemistry, Wabash College, 301 West Wabash, Crawfordsville, IN 47933, USA.

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April 2003

Lipid bilayers, NMR relaxation, and computer simulations.

Acc Chem Res 2002 Jun;35(6):438-46

Laboratory of Biophysics, Center for Biologics Evaluation and Research, FDA, 1401 Rockville Pike, Rockville, Maryland 20852-1448, USA.

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June 2002

Nuclear Overhauser enhancement spectroscopy cross-relaxation rates and ethanol distribution across membranes.

Biophys J 2002 Mar;82(3):1396-404

Department of Chemistry, Wabash College, Crawfordsville, Indiana 47933, USA.

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March 2002

Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties.

J Am Chem Soc 2002 Jan;124(2):318-26

Department of Chemistry, Wabash College, Crawfordsville, Indiana 47933, USA.

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January 2002