Standout Papers

Development and testing of a general amber force... 1984 2026 1998 2012 14.7k
  1. Development and testing of a general amber force field (2004)
    Junmei Wang, Romain M. Wolf et al. Journal of Computational Chemistry
  2. The Amber biomolecular simulation programs (2005)
    David A. Case, Thomas E. Cheatham et al. Journal of Computational Chemistry
  3. Automatic atom type and bond type perception in molecular mechanical calculations (2006)
    Junmei Wang, Wei Wang et al. Journal of Molecular Graphics and Modelling
  4. Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models (2000)
    Peter A. Kollman, Irina Massova et al. Accounts of Chemical Research
  5. A new force field for molecular mechanical simulation of nucleic acids and proteins (1984)
    Scott J. Weiner, Peter A. Kollman et al. Journal of the American Chemical Society
  6. An all atom force field for simulations of proteins and nucleic acids (1986)
    Scott J. Weiner, Peter A. Kollman et al. Journal of Computational Chemistry
  7. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field (2015)
    Jumin Lee, Xi Cheng et al. Journal of Chemical Theory and Computation
  8. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules (1995)
    David A. Pearlman, David A. Case et al. Computer Physics Communications
  9. Exploring protein native states and large‐scale conformational changes with a modified generalized born model (2004)
    Alexey V. Onufriev, Donald Bashford et al. Proteins Structure Function and Bioinformatics
  10. An overview of the Amber biomolecular simulation package (2012)
    Romelia Salomón–Ferrer, David A. Case et al. Wiley Interdisciplinary Reviews Computational Molecular Science
  11. Force Fields for Protein Simulations (2003)
    Jay W. Ponder, David A. Case Advances in protein chemistry
  12. Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices (1998)
    Jayashree Srinivasan, Thomas E. Cheatham et al. Journal of the American Chemical Society
  13. Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes (2003)
    Holger Gohlke, Christina Kiel et al. Journal of Molecular Biology
  14. Modification of the Generalized Born Model Suitable for Macromolecules (2000)
    Alexey V. Onufriev, Donald Bashford et al. The Journal of Physical Chemistry B
  15. Generalized Born Models of Macromolecular Solvation Effects (2000)
    Donald Bashford, David A. Case Annual Review of Physical Chemistry
  16. Theory and applications of the generalized born solvation model in macromolecular simulations (2000)
    Vickie Tsui, David A. Case Biopolymers
  17. Parmbsc1: a refined force field for DNA simulations (2015)
    Iván Ivani, Pablo D. Dans et al. Nature Methods
  18. Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf (2003)
    Holger Gohlke, David A. Case Journal of Computational Chemistry
  19. Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters (1995)
    Louis Noodleman, Chun Peng et al. Coordination Chemistry Reviews
  20. DOCK 6: Combining techniques to model RNA–small molecule complexes (2009)
    P. Therese Lang, Scott R. Brozell et al. RNA
  21. DOCK 6: Impact of new features and current docking performance (2015)
    William J. Allen, Trent E. Balius et al. Journal of Computational Chemistry
  22. Three-Dimensional Solution Structure of a Single Zinc Finger DNA-Binding Domain (1989)
    Min S. Lee, Garry P. Gippert et al. Science
  23. GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features (2018)
    Tai‐Sung Lee, David S. Cerutti et al. Journal of Chemical Information and Modeling

Immediate Impact

16 by Nobel laureates 53 from Science/Nature 89 standout
Sub-graph 1 of 21

Citing Papers

Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges
2020 StandoutScience
8 intermediate papers

Works of David A. Case being referenced

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
2015 Standout
The Amber biomolecular simulation programs
2005 Standout
and 7 more

Author Peers

Author Last Decade Papers Cites
David A. Case 51383 10509 14604 332 79.2k
Richard A. Friesner 31627 10569 9997 363 60.3k
J. Andrew McCammon 50018 12592 13489 834 70.4k
Berk Hess 43945 11334 14625 117 80.7k
Erik Lindahl 39790 8932 11671 185 69.0k
Alexander D. MacKerell 38159 10636 8956 468 56.1k
Wilfred F. van Gunsteren 39801 16231 17823 528 68.8k
David van der Spoel 31219 10236 12061 162 60.0k
Peter A. Kollman 67883 22580 22118 455 114.2k
Herman J. C. Berendsen 59262 23080 23566 161 110.3k
Klaus Schulten 62362 21018 22827 510 115.8k

All Works

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Rankless by CCL
2026