Publikationsliste einschränken

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 bis  

• englisch (27)

• Bereźniak, Tomasz (4)
• Jäschke, Andres (3)
• Fischer, Stefan (3)
• Langowski, Jörg (1955-2017) (3)
• Imhof, Petra (3)
• Biswas, Mithun (2)
• Zahran, Mai (2)

• Voltz, Karine (2)
• Bondar, Ana-Nicoleta (2)
• Thukral, Lipi (1)
• Reinelt, Gerhard (1)
• Topham, Christopher M. (1)
• Krachtus, Dieter (1)
• Noé, Frank (1)
• Knapp-Mohammady, Michaela (1)
• Oswald, Marcus (1)
• Neusius, Thomas (1)
• Suhai, Sándor (1)

• Baudry, Jérôme (2)
• Daidone, Isabella (2)
• Ulmschneider, Martin B. (2)
• Daniel, Roy M. (1)
• Hu, Xiaohu (1)
• Splettstößer, Thomas (1)
• Sauer, Markus (1)

• Huynh, Tru (1)
• Kataoka, Mikio (1)
• Mihailescu, Dan (1)
• Crouzy, Serge (1)
• Gembris, Daniel (1)
• Elghobashi-Meinhardt, Nadia (1)
• Sokolov, Igor M. (1)
• Daidone, Isabella (1)
• Holmes, Kenneth C. (1)
• Moritsugu, Kei (1)
• Njunda, Brigitte M. (1)
• Ulmschneider, Jakob P. (1)
• Ulmschneider, Jakob P. (1)
• Killian, J. Antoinette (1)
• Doux, Jacques P. F. (1)
• Doose, Sören (1)
• Roux, Benoît (1)
• Neuweiler, Hannes (1)

Publikationen in heiBIB     

• Krachtus, Dieter: Quantum mechanical/molecular mechanical analysis of the catalytic mechanism of phosphoserine phosphatase / Dieter Krachtus, Jeremy C. Smith, Petra Imhof, 17 December 2018. - 26 S.
  In: Molecules, ISSN 1420-3049. 23(2018,12) Artikel-Nummer: 3342, 26 Seiten
  DOI: 10.3390/molecules23123342
• Topham, Christopher M.: Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues / Christopher M. Topham, Jeremy C. Smith, 2015. - 11 S.
  In: Computational biology and chemistry. 54(2015), Seite 33-43
  DOI: 10.1016/j.compbiolchem.2014.11.007
• Biswas, Mithun: DNA bending potentials for loop-mediated nucleosome repositioning / M. Biswas, T. Wocjan, J. Langowski and J.C. Smith, 6 February 2012. - 6 S.
  In: epl, ISSN 1286-4854. 97(2012,3) Artikel-Nummer 38004, 6 Seiten
  DOI: 10.1209/0295-5075/97/38004
• Voltz, Karine: Unwrapping of nucleosomal DNA ends : a multiscale molecular dynamics study / Karine Voltz, Joanna Trylska, Nicolas Calimet, Jeremy C. Smith and Jörg Langowski, 21 February 2012. - 10 S.
  In: Biophysical journal, ISSN 1542-0086. 102(2012), 4, Seite 849-858
  DOI: 10.1016/j.bpj.2011.11.4028
• Bereźniak, Tomasz: Stereoselection in the Diels-Alderase ribozyme : a molecular dynamics study / Tomasz Bereźniak ; Andres Jäschke ; Jeremy C. Smith, and Petra Imhof. - 12 S.
  In: Journal of computational chemistry, ISSN 1096-987X. 33(2012), S. 1603-1614
  DOI: 10.1002/jcc.22993
• Bereźniak, Tomasz: Stereoselection in the Diels-Alderase ribozyme : a molecular dynamics study / Tomasz Bereźniak ; Andres Jäschke ; Jeremy C. Smith, and Petra Imhof. - 12 S.
  In: Journal of computational chemistry, ISSN 0192-8651. 33(2012), S. 1603-1614
• Zahran, Mai: Role of magnesium ions in DNA recognition by the EcoRV restriction endonuclease / Mai Zahran, Tomasz Berezniak, Petra Imhof, Jeremy C. Smith, 5 August 2011. - 5 S.
  In: FEBS letters, ISSN 1873-3468. 585(2011), 17, Seite 2739-2743
  DOI: 10.1016/j.febslet.2011.07.036
• Thukral, Lipi: Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations / Lipi Thukral, Isabella Daidone, Jeremy C. Smith, September 8, 2011. - 14 S.
  In: PLoS Computational Biology, ISSN 1553-7358. 7(2011), 9 vom: Sept., Artikel-ID e1002137, Seite 1-14
  DOI: 10.1371/journal.pcbi.1002137
• Splettstößer, Thomas: Structural modeling and molecular dynamics simulation of the actin filament / Thomas Splettstoesser, Kenneth C. Holmes, Frank Noé, and Jeremy C. Smith, 01 March 2011. - 11 S.
  In: Proteins, ISSN 1097-0134. 79(2011), 7, Seite 2033-2043
  DOI: 10.1002/prot.23017
• Neusius, Thomas: Configurational subdiffusion of peptides : a network study / Thomas Neusius, Isabella Daidone, Igor M. Sokolov, and Jeremy C. Smith, 2 February 2011. - 7 S.
  In: Physical review, ISSN 1550-2376. 83(2011), 2, Artikel-ID 021902, Seite 1-7
  DOI: 10.1103/PhysRevE.83.021902
• Hu, Xiaohu: Response of water to electric fields at temperatures below the glass transition : A molecular dynamics analysis / Xiaohu Hu, Nadia Elghobashi-Meinhardt, Daniel Gembris, and Jeremy C. Smith, 06 October 2011. - 11 S.
  In: The journal of chemical physics, ISSN 1089-7690. 135(2011), 13, Artikel-ID 134507, Seite 1-11
  DOI: 10.1063/1.3643077
• Bondar, Ana-Nicoleta: Ground-state properties of the retinal molecule : from quantum mechanical to classical mechanical computations of retinal proteins / Ana-Nicoleta Bondar, Michaela Knapp-Mohammady, Sándor Suhai, Stefan Fischer, Jeremy C. Smith, 29 October 2011. - 15 S.
  In: Theoretical chemistry accounts, ISSN 1432-2234. 130(2011), 4, Seite 1169-1183
  DOI: 10.1007/s00214-011-1054-1
• Bondar, Ana-Nicoleta: Water pathways in the bacteriorhodopsin proton pump / Ana-Nicoleta Bondar, Stefan Fischer, Jeremy C. Smith, 2011. - 12 S.
  In: The journal of membrane biology, ISSN 1432-1424. 239(2011), Seite 73-84
  DOI: 10.1007/s00232-010-9329-3
• Biswas, Mithun: Role of histone tails in structural stability of the nucleosome / Mithun Biswas, Karine Voltz, Jeremy C. Smith, Jörg Langowski, December 15, 2011. - 12 S.
  In: PLoS Computational Biology, ISSN 1553-7358. 7(2011), 12 vom: Dez., Artikel-ID e1002279, Seite 1-12
  DOI: 10.1371/journal.pcbi.1002279
• Ulmschneider, Martin B.: Peptide partitioning properties from direct insertion studies / Martin B. Ulmschneider, Jeremy C. Smith, and Jakob P. Ulmschneider, 16 June 2010. - 3 S. : Illustrationen
  In: Biophysical journal, ISSN 1542-0086. 98(2010), 12 vom: Juni, Seite L60-L62
  DOI: 10.1016/j.bpj.2010.03.043
• Ulmschneider, Martin B.: Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides / Martin B. Ulmschneider, Jacques P.F. Doux, J. Antoinette Killian, Jeremy C. Smith, and Jakob P. Ulms… , February 17, 2010. - 9 S.
  In: Journal of the American Chemical Society, ISSN 1520-5126. 132(2010), 10, Seite 3452-3460
  DOI: 10.1021/ja909347x
• Daidone, Isabella: Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains / Isabella Daidone, Hannes Neuweiler, Sören Doose, Markus Sauer, Jeremy C. Smith, January 22, 2010. - 9 S.
  In: PLoS Computational Biology, ISSN 1553-7358. 6(2010), 1 vom: Jan., Artikel-ID e1000645, Seite 1-9
  DOI: 10.1371/journal.pcbi.1000645
• Moritsugu, Kei: Theory and normal-mode analysis of change in protein vibrational dynamics on ligand binding / Kei Moritsugu, Brigitte M. Njunda, and Jeremy C. Smith, 28 January 2010. - 7 S.
  In: The journal of physical chemistry, ISSN 1520-5207. 114(2010), 3, Seite 1479-1485
  DOI: 10.1021/jp909677p
• Bereźniak, Tomasz: Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozyme / Tomasz Berezniak, Mai Zahran ... Andres Jäschke and Jeremy C. Smith, 2010. - 10 S.
  In: Journal of the American Chemical Society, ISSN 0002-7863. 132(2010), Seite 12587-12596
• Noé, Frank: Computing best transition pathways in high-dimensional dynamical systems / Frank Noé; Marcus Oswald; Gerhard Reinelt; Stefan Fischer; Jeremy C. Smith, 2006. - 27 S.
  In: Multiscale modeling & simulation, ISSN 1540-3467. 5(2006), 2, Seite 393-419
  DOI: 10.1137/050641922
• Kataoka, Mikio: Dynamical and structural modifications of staphylococcal nuclease on C-terminal truncation / M. Kataoka, M. Ferrand, A.V. Goupil-Lamy, H. Kamikubo, J. Yunoki, T. Oka, J.C. Smith. - 7 S.
  In: Physica, ISSN 1873-2135. 266(1999), 1, S. 20-26
  DOI: 10.1016/S0921-4526(98)01488-4
• Topham, Christopher M.: The influence of helix morphology on co-operative polyamide backbone conformational flexibility in peptide nucleic acid complexes / Christopher M. Topham and Jeremy C. Smith. - 22 S.
  In: Journal of molecular biology, ISSN 1089-8638. 292(1999), 5, S. 1017-1038
  DOI: 10.1006/jmbi.1999.3131
• Daniel, Roy M.: Enzyme dynamics and activity : time-scale dependence of dynamical transitions in glutamate dehydrogenase solution / Roy M. Daniel, John L. Finney, Valérie Réat, Rachel Dunn, Michel Ferrand, and Jeremy C. Smith. - 7 S.
  In: Biophysical journal, ISSN 1542-0086. 77(1999), 4, S. 2184-2190
  DOI: 10.1016/S0006-3495(99)77058-X
• Crouzy, Serge: Efficient calculation of two-dimensional adiabatic and free energy maps : application to the isomerization of the C13=C14 and C15=N16 bonds in the retinal of bacteriorhodopsin / Serge Crouzy, Jerôme Baudry, Jeremy C. Smith, Benoît Roux, 28 October 1999. - 15 S. : Illustrationen
  In: Journal of computational chemistry, ISSN 1096-987X. 20(1999), 15, Seite 1644-1658
  DOI: 10.1002/(SICI)1096-987X(19991130)20:15<1644::AID-JCC5>3.0.CO;2-Y
• Baudry, Jérôme: Simulation analysis of the retinal conformational equilibrium in dark-adapted bacteriorhodopsin / Jérôme me Baudry, Serge Crouzy, Benoı̂t Roux, and Jeremy C. Smith, [April 1999]. - 9 S. : Illustrationen
  In: Biophysical journal, ISSN 1542-0086. 76(1999), 4, Seite 1909-1917
  DOI: 10.1016/S0006-3495(99)77349-2
• Mihailescu, Dan: Molecular dynamics simulation of the cyclic decapeptide antibiotic, gramicidin S, in dimethyl sulfoxide solution / Dan Mihailescu and Jeremy C. Smith. - 9 S.
  In: The journal of physical chemistry, ISSN 1520-5207. 103(1999), 9, S. 1586-1594
  DOI: 10.1021/jp983674t
• Huynh, Tru: Molecular dynamics simulations of the isolated domain 1 of annexin I / Tru Huynh, Gabriel Musat, Jean-Michel Neumann, Jeremy C. Smith, Alain Sanson. - 5 S.
  In: Theoretical chemistry accounts, ISSN 1432-2234. 101(1999), 1/3, S. 82-86
  DOI: 10.1007/s002140050411

IDs

GND:	1025139003

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