@article{UBHD-68175888,
  author={Baudry, Jérôme and Smith, Jeremy C.},
  title={Simulation analysis of the retinal conformational equilibrium in dark-adapted bacteriorhodopsin},
  year={1999},
  pages={1909-1917},
  language={eng},
  issn={1542-0086},
  volume={76},
  number={4},
  note={Gesehen am 05.10.2017},
  journal={Biophysical journal},
  doi={10.1016/S0006-3495(99)77349-2},
}
@article{UBHD-67282739,
  author={Bereźniak, Tomasz and Zahran, Mai and J{\"a}schke, Andres and Smith, Jeremy C.},
  title={Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozyme},
  year={2010},
  pages={12587-12596},
  language={eng},
  issn={0002-7863},
  volume={132},
  journal={Journal of the American Chemical Society},
}
@article{UBHD-68245139,
  author={Bereźniak, Tomasz and J{\"a}schke, Andres and Smith, Jeremy C. and Imhof, Petra},
  title={Stereoselection in the Diels-Alderase ribozyme},
  subtitle={a molecular dynamics study},
  year={2012},
  pages={1603-1614},
  language={eng},
  issn={1096-987X},
  volume={33},
  note={Gesehen am 20.04.2018},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.22993},
}
@article{UBHD-67282682,
  author={Bereźniak, Tomasz and J{\"a}schke, Andres and Smith, Jeremy C. and Imhof, Petra},
  title={Stereoselection in the Diels-Alderase ribozyme},
  subtitle={a molecular dynamics study},
  year={2012},
  pages={1603-1614},
  language={eng},
  issn={0192-8651},
  volume={33},
  journal={Journal of computational chemistry},
}
@article{UBHD-68296530,
  author={Biswas, Mithun and Langowski, J{\"o}rg and Smith, Jeremy C.},
  title={DNA bending potentials for loop-mediated nucleosome repositioning},
  year={2012},
  pages={6 S.},
  language={eng},
  issn={1286-4854},
  volume={97(2012},
  note={Gesehen am 17.08.2018},
  journal={epl},
  doi={10.1209/0295-5075/97/38004},
}
@article{UBHD-68899271,
  author={Biswas, Mithun and Voltz, Karine and Smith, Jeremy C. and Langowski, J{\"o}rg},
  title={Role of histone tails in structural stability of the nucleosome},
  year={2011},
  pages={1-12},
  language={eng},
  issn={1553-7358},
  volume={7},
  note={Gesehen am 24.03.2022},
  journal={PLoS Computational Biology},
  doi={10.1371/journal.pcbi.1002279},
}
@article{UBHD-68904457,
  author={Bondar, Ana-Nicoleta and Knapp-Mohammady, Michaela and Suhai, Sándor and Fischer, Stefan and Smith, Jeremy C.},
  title={Ground-state properties of the retinal molecule},
  subtitle={from quantum mechanical to classical mechanical computations of retinal proteins},
  year={2011},
  pages={1169-1183},
  language={eng},
  issn={1432-2234},
  volume={130},
  number={4},
  note={Gesehen am 06.04.2022},
  journal={Theoretical chemistry accounts},
  doi={10.1007/s00214-011-1054-1},
}
@article{UBHD-68904440,
  author={Bondar, Ana-Nicoleta and Fischer, Stefan and Smith, Jeremy C.},
  title={Water pathways in the bacteriorhodopsin proton pump},
  year={2011},
  pages={73-84},
  language={eng},
  issn={1432-1424},
  volume={239},
  note={First published online: 28 November 2010 ; Gesehen am 06.04.2022},
  journal={The journal of membrane biology},
  doi={10.1007/s00232-010-9329-3},
}
@article{UBHD-68175890,
  author={Crouzy, Serge and Baudry, Jérôme and Smith, Jeremy C. and Roux, Benoît},
  title={Efficient calculation of two-dimensional adiabatic and free energy maps},
  subtitle={application to the isomerization of the C13=C14 and C15=N16 bonds in the retinal of bacteriorhodopsin},
  year={1999},
  pages={1644-1658},
  language={eng},
  issn={1096-987X},
  volume={20},
  number={15},
  note={Gesehen am 05.10.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/(SICI)1096-987X(19991130)20:15<1644::AID-JCC5>3.0.CO;2-Y},
}
@article{UBHD-69105711,
  author={Daidone, Isabella and Neuweiler, Hannes and Doose, S{\"o}ren and Sauer, Markus and Smith, Jeremy C.},
  title={Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains},
  year={2010},
  pages={1-9},
  language={eng},
  issn={1553-7358},
  volume={6},
  note={Gesehen am 02.08.2023},
  journal={PLoS Computational Biology},
  doi={10.1371/journal.pcbi.1000645},
}
@article{UBHD-68175891,
  author={Daniel, Roy M. and Smith, Jeremy C.},
  title={Enzyme dynamics and activity},
  subtitle={time-scale dependence of dynamical transitions in glutamate dehydrogenase solution},
  year={1999},
  pages={2184-2190},
  language={eng},
  issn={1542-0086},
  volume={77},
  number={4},
  note={Gesehen am 05.10.2017},
  journal={Biophysical journal},
  doi={10.1016/S0006-3495(99)77058-X},
}
@article{UBHD-68936263,
  author={Hu, Xiaohu and Elghobashi-Meinhardt, Nadia and Gembris, Daniel and Smith, Jeremy C.},
  title={Response of water to electric fields at temperatures below the glass transition},
  subtitle={A molecular dynamics analysis},
  year={2011},
  pages={1-11},
  language={eng},
  issn={1089-7690},
  volume={135},
  note={Gesehen am 30.06.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.3643077},
}
@article{UBHD-68175390,
  author={Huynh, Tru and Smith, Jeremy C.},
  title={Molecular dynamics simulations of the isolated domain 1 of annexin I},
  year={1998},
  pages={82-86},
  language={eng},
  issn={1432-2234},
  volume={101},
  number={1/3},
  note={Gesehen am 04.10.2017},
  journal={Theoretical chemistry accounts},
  doi={10.1007/s002140050411},
}
@article{UBHD-68175897,
  author={Kataoka, Mikio and Smith, Jeremy C.},
  title={Dynamical and structural modifications of staphylococcal nuclease on C-terminal truncation},
  year={1999},
  pages={20-26},
  language={eng},
  issn={1873-2135},
  volume={266},
  number={1},
  note={Gesehen am 05.10.2017},
  journal={Physica},
  doi={10.1016/S0921-4526(98)01488-4},
}
@article{UBHD-68446635,
  author={Krachtus, Dieter and Smith, Jeremy C. and Imhof, Petra},
  title={Quantum mechanical/molecular mechanical analysis of the catalytic mechanism of phosphoserine phosphatase},
  year={2018},
  pages={26 S.},
  language={eng},
  issn={1420-3049},
  volume={23(2018},
  note={Gesehen am 28.10.2019},
  journal={Molecules},
  doi={10.3390/molecules23123342},
}
@article{UBHD-68175887,
  author={Mihailescu, Dan and Smith, Jeremy C.},
  title={Molecular dynamics simulation of the cyclic decapeptide antibiotic, gramicidin S, in dimethyl sulfoxide solution},
  year={1999},
  pages={1586-1594},
  language={eng},
  issn={1520-5207},
  volume={103},
  number={9},
  note={Gesehen am 05.10.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp983674t},
}
@article{UBHD-69072171,
  author={Moritsugu, Kei and Njunda, Brigitte M. and Smith, Jeremy C.},
  title={Theory and normal-mode analysis of change in protein vibrational dynamics on ligand binding},
  year={2010},
  pages={1479-1485},
  language={eng},
  issn={1520-5207},
  volume={114},
  number={3},
  note={Gesehen am 04.05.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/jp909677p},
}
@article{UBHD-68966517,
  author={Neusius, Thomas and Daidone, Isabella and Sokolov, Igor M. and Smith, Jeremy C.},
  title={Configurational subdiffusion of peptides},
  subtitle={a network study},
  year={2011},
  pages={1-7},
  language={eng},
  issn={1550-2376},
  volume={83},
  note={Gesehen am 22.09.2022},
  journal={Physical review},
  doi={10.1103/PhysRevE.83.021902},
}
@article{UBHD-67298526,
  author={Noé, Frank and Oswald, Marcus and Reinelt, Gerhard and Fischer, Stefan and Smith, Jeremy C.},
  title={Computing best transition pathways in high-dimensional dynamical systems},
  year={2006},
  pages={393-419},
  language={eng},
  issn={1540-3467},
  volume={5},
  number={2},
  journal={Multiscale modeling & simulation},
  doi={10.1137/050641922},
}
@article{UBHD-68976525,
  author={Splettst{\"o}ßer, Thomas and Holmes, Kenneth C. and Noé, Frank and Smith, Jeremy C.},
  title={Structural modeling and molecular dynamics simulation of the actin filament},
  year={2011},
  pages={2033-2043},
  language={eng},
  issn={1097-0134},
  volume={79},
  number={7},
  note={Gesehen am 20.10.2022},
  journal={Proteins},
  doi={10.1002/prot.23017},
}
@article{UBHD-68981357,
  author={Thukral, Lipi and Daidone, Isabella and Smith, Jeremy C.},
  title={Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations},
  year={2011},
  pages={1-14},
  language={eng},
  issn={1553-7358},
  volume={7},
  note={Gesehen am 03.11.2022},
  journal={PLoS Computational Biology},
  doi={10.1371/journal.pcbi.1002137},
}
@article{UBHD-68175895,
  author={Topham, Christopher M. and Smith, Jeremy C.},
  title={The influence of helix morphology on co-operative polyamide backbone conformational flexibility in peptide nucleic acid complexes},
  year={1999},
  pages={1017-1038},
  language={eng},
  issn={1089-8638},
  volume={292},
  number={5},
  note={Gesehen am 05.10.2017},
  journal={Journal of molecular biology},
  doi={10.1006/jmbi.1999.3131},
}
@article{UBHD-68612969,
  author={Topham, Christopher M. and Smith, Jeremy C.},
  title={Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues},
  year={2015},
  pages={33-43},
  language={eng},
  volume={54},
  note={Available online 3 December 2014 ; Gesehen am 02.07.2020},
  journal={Computational biology and chemistry},
  doi={10.1016/j.compbiolchem.2014.11.007},
}
@article{UBHD-69166149,
  author={Ulmschneider, Martin B. and Doux, Jacques P. F. and Killian, J. Antoinette and Smith, Jeremy C. and Ulmschneider, Jakob P.},
  title={Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides},
  year={2010},
  pages={3452-3460},
  language={eng},
  issn={1520-5126},
  volume={132},
  number={10},
  note={Gesehen am 26.01.2024},
  journal={Journal of the American Chemical Society},
  doi={10.1021/ja909347x},
}
@article{UBHD-69166168,
  author={Ulmschneider, Martin B. and Smith, Jeremy C. and Ulmschneider, Jakob P.},
  title={Peptide partitioning properties from direct insertion studies},
  year={2010},
  pages={L60-L62},
  language={eng},
  issn={1542-0086},
  volume={98},
  number={12 vom: Juni},
  note={Gesehen am 26.01.2024},
  journal={Biophysical journal},
  doi={10.1016/j.bpj.2010.03.043},
}
@article{UBHD-68290135,
  author={Voltz, Karine and Smith, Jeremy C. and Langowski, J{\"o}rg},
  title={Unwrapping of nucleosomal DNA ends},
  subtitle={a multiscale molecular dynamics study},
  year={2012},
  pages={849-858},
  language={eng},
  issn={1542-0086},
  volume={102},
  number={4},
  note={Available online 21 February 2012 ; Gesehen am 30.08.2018},
  journal={Biophysical journal},
  doi={10.1016/j.bpj.2011.11.4028},
}
@article{UBHD-68999350,
  author={Zahran, Mai and Bereźniak, Tomasz and Imhof, Petra and Smith, Jeremy C.},
  title={Role of magnesium ions in DNA recognition by the EcoRV restriction endonuclease},
  year={2011},
  pages={2739-2743},
  language={eng},
  issn={1873-3468},
  volume={585},
  number={17},
  note={Gesehen am 19.12.2022},
  journal={FEBS letters},
  doi={10.1016/j.febslet.2011.07.036},
}