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Wilfred F. van Gunsteren: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Anton Gunzinger, Urs A. Müller, Walter Scott, Bernhard Bäumle, Peter Kohler, Johann vonder Mühll, Florian Müller-Plathe, Wilfred F. van Gunsteren, Walter Guggenbühl
    Achieving Super Computer Performance with a DSP Array Processor. [Citation Graph (0, 0)][DBLP]
    SC, 1992, pp:543-550 [Conf]
  2. Paul R. Gerber, Alan E. Mark, Wilfred F. van Gunsteren
    An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1993, v:7, n:3, pp:305-323 [Journal]
  3. Xavier Daura, Eric Haaksma, Wilfred F. van Gunsteren
    Factor Xa: Simulation studies with an eye to inhibitor design. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2000, v:14, n:6, pp:507-529 [Journal]
  4. Thomas Huber, Andrew E. Torda, Wilfred F. van Gunsteren
    Local elevation: A method for improving the searching properties of molecular dynamics simulation. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1994, v:8, n:6, pp:695-708 [Journal]
  5. René C. van Schaik, Wilfred F. van Gunsteren, Herman J. C. Berendsen
    Conformational search by potential energy annealing: Algorithm and application to cyclosporin A. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1992, v:6, n:2, pp:97-112 [Journal]
  6. H. Bekker, H. J. C. Berendesen, Wilfred F. van Gunsteren
    Force and Cirial of Torsional-Angle-Dependent Potentials. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:5, pp:527-533 [Journal]
  7. Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe
    Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1484-1495 [Journal]
  8. Wolfgang Damm, Wilfred F. van Gunsteren
    Reversible peptide folding: Dependence on molecular force field used. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:9, pp:774-787 [Journal]
  9. Xavier Daura, Alan E. Mark, Wilfred F. van Gunsteren
    Parametrization of aliphatic CHn united atoms of GROMOS96 force field. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:5, pp:535-547 [Journal]
  10. Alice Glättli, Xavier Daura, Wilfred F. van Gunsteren
    A novel approach for designing simple point charge models for liquid water with three interaction sites. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1087-1096 [Journal]
  11. D. Kony, Wolfgang Damm, S. Stoll, Wilfred F. van Gunsteren
    An improved OPLS-AA force field for carbohydrates. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:15, pp:1416-1429 [Journal]
  12. Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger
    A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:5, pp:501-508 [Journal]
  13. Chris Oostenbrink, Wilfred F. van Gunsteren
    Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:14, pp:1730-1739 [Journal]
  14. Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren
    A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:13, pp:1656-1676 [Journal]
  15. Heiko Schäfer, Wilfred F. van Gunsteren, Alan E. Mark
    Estimating relative free energies from a single ensemble: Hydration free energies. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:15, pp:1604-1617 [Journal]
  16. Lukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren
    An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:11, pp:1205-1218 [Journal]
  17. Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren
    An improved nucleic acid parameter set for the GROMOS force field. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:7, pp:725-737 [Journal]
  18. Andrew E. Torda, Wilfred F. van Gunsteren
    Algorithms for Clustering Molecular Dynamics Confogurations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:12, pp:1331-1340 [Journal]
  19. Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P. Geerke, Tim N. Heinz, Mika A. Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F. van Gunsteren
    The GROMOS software for biomolecular simulation: GROMOS05. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:16, pp:1719-1751 [Journal]
  20. Yu Zhou, Chris Oostenbrink, Aldo Jongejan, Wilfred F. van Gunsteren, Wilfred R. Hagen, Simon W. De Leeuw, Jaap A. Jongejan
    Computational study of ground-state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:857-867 [Journal]
  21. Haibo Yu, Daan P. Geerke, Haiyan Liu, Wilfred F. van Gunsteren
    Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1494-1504 [Journal]
  22. Fred A. Hamprecht, Walter Thiel, Wilfred F. van Gunsteren
    Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:2, pp:414-428 [Journal]

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