Standout Papers

GROMACS: Fast, flexible, and free 1999 2026 2008 2017 14.2k
  1. GROMACS: Fast, flexible, and free (2005)
    David van der Spoel, Erik Lindahl et al. Journal of Computational Chemistry
  2. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6 (2004)
    Chris Oostenbrink, Alessandra Villa et al. Journal of Computational Chemistry
  3. Definition and testing of the GROMOS force-field versions 54A7 and 54B7 (2011)
    Nathan Schmid, Andreas P. Eichenberger et al. European Biophysics Journal
  4. Coarse Grained Model for Semiquantitative Lipid Simulations (2003)
    ‪Siewert J. Marrink, Alex H. de Vries et al. The Journal of Physical Chemistry B
  5. Peptide Folding: When Simulation Meets Experiment (1999)
    Xavier Daura, Karl Gademann et al. Angewandte Chemie International Edition
  6. An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0 (2011)
    Alpeshkumar K. Malde, L. Zuo et al. Journal of Chemical Theory and Computation
  7. The GROMOS Biomolecular Simulation Program Package (1999)
    Walter R. P. Scott, Philippe H. Hünenberger et al. The Journal of Physical Chemistry A
  8. Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations (1994)
    Thomas C. Beutler, Alan E. Mark et al. Chemical Physics Letters
  9. Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies (2014)
    Katarzyna B. Koziara, Martin Stroet et al. Journal of Computer-Aided Molecular Design
  10. Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane (2018)
    Martin Stroet, Bertrand Caron et al. Journal of Chemical Theory and Computation

Immediate Impact

10 by Nobel laureates 25 from Science/Nature 172 standout
Sub-graph 1 of 18

Citing Papers

Mining human microbiomes reveals an untapped source of peptide antibiotics
2024 Standout
Ubiquitination regulates ER-phagy and remodelling of endoplasmic reticulum
2023 StandoutNature
31 intermediate papers

Works of Alan E. Mark being referenced

Coarse Grained Model for Semiquantitative Lipid Simulations
2003 Standout
Peptide Folding: When Simulation Meets Experiment
1999 Standout
and 27 more

Author Peers

Author Last Decade Papers Cites
Alan E. Mark 26315 7491 7895 240 43.1k
Lee G. Pedersen 28653 7742 8517 222 49.3k
Jeffry D. Madura 23787 9576 8185 118 42.4k
Darrin M. York 20475 5923 6101 249 34.5k
David van der Spoel 31219 10236 12061 162 60.0k
Alexander D. MacKerell 38159 10636 8956 468 56.1k
Piotr Cieplak 26032 6661 7212 124 40.4k
Jayaraman Chandrasekhar 21558 11745 9075 178 46.3k
Erik Lindahl 39790 8932 11671 185 69.0k
Bernard R. Brooks 23694 8446 7902 302 34.6k
Junmei Wang 24505 4056 6889 395 44.4k

All Works

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2026