Standout Papers

GROMACS 4.5: a high-throughput and highly parallel op... 2003 2026 2010 2018 5.9k
  1. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit (2013)
    Sander Pronk, Szilárd Páll et al. Bioinformatics
  2. Statistically optimal analysis of samples from multiple equilibrium states (2008)
    Michael R. Shirts, John D. Chodera The Journal of Chemical Physics
  3. Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins (2003)
    Michael R. Shirts, Jed W. Pitera et al. The Journal of Chemical Physics
  4. OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation (2012)
    Peter Eastman, Mark S. Friedrichs et al. Journal of Chemical Theory and Computation
  5. Alchemical free energy methods for drug discovery: progress and challenges (2011)
    John D. Chodera, David L. Mobley et al. Current Opinion in Structural Biology
  6. Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022)
    Jérôme Hénin, Tony Lelièvre et al. arXiv (Cornell University)
  7. Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field (2023)
    Simon Boothroyd, Pavan Kumar Behara et al. Journal of Chemical Theory and Computation

Immediate Impact

22 by Nobel laureates 32 from Science/Nature 107 standout
Sub-graph 1 of 20

Citing Papers

De novo design of allosterically switchable protein assemblies
2024 StandoutNatureNobel
Ubiquitination regulates ER-phagy and remodelling of endoplasmic reticulum
2023 StandoutNature
6 intermediate papers

Works of Michael R. Shirts being referenced

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
2003 Standout
and 1 more

Author Peers

Author Last Decade Papers Cites
Michael R. Shirts 9657 3920 3407 108 15.3k
Robert D. Skeel 11948 3169 2790 96 19.8k
John D. Chodera 10287 4011 3567 121 14.6k
Alessandro Laio 8887 4656 4311 163 18.8k
Kim A. Sharp 15536 4226 3804 146 22.4k
David L. Mobley 7256 3018 2998 158 11.3k
Christophe Chipot 15792 4297 4439 238 23.9k
Giovanni Bussi 13125 5884 4427 99 24.2k
George B. Benedek 8373 3900 2338 184 18.4k
James C. Gumbart 13793 3110 2400 154 20.0k
Ronald M. Levy 8078 2664 3626 226 12.3k

All Works

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2026