Standout Papers

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Doc... 2004 2026 2011 2018 7.3k
  1. Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy (2004)
    Richard A. Friesner, Jay L. Banks et al. Journal of Medicinal Chemistry
  2. Improved side‐chain torsion potentials for the Amber ff99SB protein force field (2010)
    Kresten Lindorff‐Larsen, Stefano Piana et al. Proteins Structure Function and Bioinformatics
  3. A hierarchical approach to all‐atom protein loop prediction (2004)
    Matthew P. Jacobson, David L. Pincus et al. Proteins Structure Function and Bioinformatics
  4. How Fast-Folding Proteins Fold (2011)
    Kresten Lindorff‐Larsen, Stefano Piana et al. Science
  5. Atomic-Level Characterization of the Structural Dynamics of Proteins (2010)
    David E. Shaw, Paul Maragakis et al. Science
  6. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results (2006)
    Steven L. Dixon, Alexander M. Smondyrev et al. Journal of Computer-Aided Molecular Design
  7. Biomolecular Simulation: A Computational Microscope for Molecular Biology (2012)
    Ron O. Dror, Robert M. Dirks et al. Annual Review of Biophysics
  8. Developing a molecular dynamics force field for both folded and disordered protein states (2018)
    Paul Robustelli, Stefano Piana et al. Proceedings of the National Academy of Sciences
  9. The Dynamic Process of β2-Adrenergic Receptor Activation (2013)
    Rie Nygaard, Yaozhong Zou et al. Cell
  10. Structure and function of an irreversible agonist-β2 adrenoceptor complex (2011)
    Daniel M. Rosenbaum, Cheng Zhang et al. Nature
  11. Structure and dynamics of the M3 muscarinic acetylcholine receptor (2012)
    Andrew C. Kruse, Jianxin Hu et al. Nature
  12. Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States (2015)
    Stefano Piana, Alexander Donchev et al. The Journal of Physical Chemistry B
  13. Pathway and mechanism of drug binding to G-protein-coupled receptors (2011)
    Ron O. Dror, Albert C. Pan et al. Proceedings of the National Academy of Sciences
  14. Long-timescale molecular dynamics simulations of protein structure and function (2009)
    John L. Klepeis, Kresten Lindorff‐Larsen et al. Current Opinion in Structural Biology
  15. Systematic Validation of Protein Force Fields against Experimental Data (2012)
    Kresten Lindorff‐Larsen, Paul Maragakis et al. PLoS ONE
  16. How Does a Drug Molecule Find Its Target Binding Site? (2011)
    Yibing Shan, Eric T. Kim et al. Journal of the American Chemical Society
  17. Activation mechanism of theβ2-adrenergic receptor (2011)
    Ron O. Dror, Daniel H. Arlow et al. Proceedings of the National Academy of Sciences
  18. High-resolution crystal structure of human protease-activated receptor 1 (2012)
    Cheng Zhang, Yoga Srinivasan et al. Nature
  19. Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization (2012)
    Yibing Shan, Michael P. Eastwood et al. Cell

Immediate Impact

31 by Nobel laureates 45 from Science/Nature 100 standout
Sub-graph 1 of 16

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28 intermediate papers

Works of David E. Shaw being referenced

Improved side‐chain torsion potentials for the Amber ff99SB protein force field
2010 Standout
Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
2004 Standout
and 11 more

Author Peers

Author Last Decade Papers Cites
David E. Shaw 26948 5621 3768 6644 258 38.6k
Junmei Wang 24505 6889 3123 7543 395 44.4k
Andrej Săli 49661 11352 4428 4662 375 64.9k
Thomas E. Ferrin 34500 5432 4837 4446 90 53.5k
Barry Honig 37023 8921 2255 3734 346 50.5k
David Eisenberg 45622 9841 2509 3222 404 60.7k
Ruben Abagyan 21324 2950 2875 5497 343 29.8k
Ruth Nussinov 42884 10341 3405 9496 785 52.9k
Piotr Cieplak 26032 7212 2550 3809 124 40.4k
Helen M. Berman 36404 10080 2726 7230 241 48.2k
Erik Lindahl 39790 11671 2997 4854 185 69.0k

All Works

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2026