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Alan E. Mark: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. 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]
  2. Alessandra Villa, Ronen Zangi, Gilles Pieffet, Alan E. Mark
    Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsin. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2003, v:17, n:10, pp:673-686 [Journal]
  3. 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]
  4. Serena Donnini, Alan E. Mark, André H. Juffer, Alessandra Villa
    Incorporating the effect of ionic strength in free energy calculations using explicit ions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:2, pp:115-122 [Journal]
  5. 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]
  6. 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]
  7. Alessandra Villa, Alan E. Mark
    Calculation of the free energy of solvation for neutral analogs of amino acid side chains. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:5, pp:548-553 [Journal]
  8. David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark, Herman J. C. Berendsen
    GROMACS: Fast, flexible, and free. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:16, pp:1701-1718 [Journal]
  9. Tsjerk A. Wassenaar, Alan E. Mark
    The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:316-325 [Journal]

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