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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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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http://dx.doi.org/10.1016/j.bbamem.2018.01.002DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5963985PMC
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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http://dx.doi.org/10.1016/j.bpj.2015.08.032DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4624157PMC
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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http://dx.doi.org/10.1016/j.bpj.2014.04.060DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4119277PMC
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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http://dx.doi.org/10.1021/bi4013947DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4096112PMC
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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http://dx.doi.org/10.1021/ja4002986DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5176254PMC
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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http://dx.doi.org/10.1021/ja2108382DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3299983PMC
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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http://dx.doi.org/10.1016/j.bbamem.2011.08.003DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5270601PMC
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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https://linkinghub.elsevier.com/retrieve/pii/S00052736110027
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http://dx.doi.org/10.1016/j.bbamem.2011.08.016DOI Listing
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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http://link.springer.com/10.1007/s00232-011-9411-5
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http://dx.doi.org/10.1007/s00232-011-9411-5DOI Listing
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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http://dx.doi.org/10.1016/j.bpj.2011.06.020DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3145276PMC
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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http://dx.doi.org/10.1021/jp105068gDOI Listing
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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http://dx.doi.org/10.1016/j.bbamem.2009.09.023DOI Listing
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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http://dx.doi.org/10.1021/bi901179rDOI Listing
November 2009

The role of membranes in the organization of HIV-1 Gag p6 and Vpr: p6 shows high affinity for membrane bilayers which substantially increases the interaction between p6 and Vpr.

J Med Chem 2009 Nov;52(22):7157-62

Departement de Chimie, Ecole Normale Superieure, CNRS, UMR 8642, 24 rue Lhomond, 75231 Paris cedex 05, France.

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http://dx.doi.org/10.1021/jm901106tDOI Listing
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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http://dx.doi.org/10.1021/jp902186fDOI Listing
October 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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http://dx.doi.org/10.1021/bi801794vDOI Listing
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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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2632950PMC
http://dx.doi.org/10.1021/la802079hDOI Listing
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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http://dx.doi.org/10.1529/biophysj.108.132662DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2517047PMC
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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http://dx.doi.org/10.1016/j.jmb.2008.05.036DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3987891PMC
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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http://dx.doi.org/10.1016/j.chemphyslip.2008.02.013DOI Listing
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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http://dx.doi.org/10.1007/978-1-59745-519-0_7DOI Listing
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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http://dx.doi.org/10.1529/biophysj.107.104562DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1989704PMC
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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http://dx.doi.org/10.1016/j.jmb.2007.06.047DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5233727PMC
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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http://dx.doi.org/10.1002/prot.21308DOI Listing
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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http://pubs.acs.org/doi/abs/10.1021/ja0671971
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http://dx.doi.org/10.1021/ja0671971DOI Listing
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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http://dx.doi.org/10.1073/pnas.0508352103DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1458765PMC
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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http://dx.doi.org/10.1016/j.sbi.2005.07.002DOI Listing
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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http://dx.doi.org/10.1021/bi050822eDOI Listing
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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http://dx.doi.org/10.1063/1.1899152DOI Listing
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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http://dx.doi.org/10.1063/1.1899153DOI Listing
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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http://dx.doi.org/10.1021/ja042715yDOI Listing
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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http://dx.doi.org/10.1021/bi048231wDOI Listing
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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http://dx.doi.org/10.1021/bi049917rDOI Listing
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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http://dx.doi.org/10.1103/PhysRevE.69.051903DOI Listing
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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http://dx.doi.org/10.1021/ja029029oDOI Listing
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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http://dx.doi.org/10.1021/ja0345874DOI Listing
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

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