Standout Papers

The Amber biomolecular simulation programs 2000 2026 2008 2017 7.3k
  1. The Amber biomolecular simulation programs (2005)
    David A. Case, Thomas E. Cheatham et al. Journal of Computational Chemistry
  2. MMPBSA.py: An Efficient Program for End-State Free Energy Calculations (2012)
    Bill R. Miller, T. Dwight McGee et al. Journal of Chemical Theory and Computation
  3. 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
  4. Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method (2012)
    Nadine Homeyer, Holger Gohlke Molecular Informatics
  5. Knowledge-based scoring function to predict protein-ligand interactions (2000)
    Holger Gohlke, Manfred Hendlich et al. Journal of Molecular Biology
  6. 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
  7. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors (2002)
    Holger Gohlke, G. Klebe Angewandte Chemie International Edition

Immediate Impact

45 by Nobel laureates 34 from Science/Nature 137 standout
Sub-graph 1 of 21

Citing Papers

Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex
2024 StandoutScience

Works of Holger Gohlke being referenced

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
2012 Standout
The Amber biomolecular simulation programs
2005 Standout

Author Peers

Author Last Decade Papers Cites
Holger Gohlke 16080 3282 4772 278 22.4k
Irwin D. Kuntz 15197 4085 6977 224 22.0k
Matthew P. Jacobson 11211 2232 2504 199 16.8k
G. Klebe 14314 3710 8586 377 21.7k
Ruben Abagyan 21324 2950 5497 343 29.8k
Tingjun Hou 15418 5202 10136 538 27.7k
Carlos Simmerling 20452 5133 3490 106 27.5k
Robert Abel 11054 2820 4095 72 15.6k
Woody Sherman 9955 1700 5373 98 16.2k
Ray Luo 12346 3242 2253 176 17.1k
S.K. Burley 22792 3823 1593 330 32.4k

All Works

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Rankless by CCL
2026