David A. Case

104.4k total citations · 23 hit papers
340 papers, 81.1k citations indexed

About

David A. Case is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Materials Chemistry. According to data from OpenAlex, David A. Case has authored 340 papers receiving a total of 81.1k indexed citations (citations by other indexed papers that have themselves been cited), including 213 papers in Molecular Biology, 83 papers in Atomic and Molecular Physics, and Optics and 80 papers in Materials Chemistry. Recurrent topics in David A. Case's work include Protein Structure and Dynamics (126 papers), DNA and Nucleic Acid Chemistry (76 papers) and Spectroscopy and Quantum Chemical Studies (58 papers). David A. Case is often cited by papers focused on Protein Structure and Dynamics (126 papers), DNA and Nucleic Acid Chemistry (76 papers) and Spectroscopy and Quantum Chemical Studies (58 papers). David A. Case collaborates with scholars based in United States, Germany and France. David A. Case's co-authors include Peter A. Kollman, Junmei Wang, James W. Caldwell, Romain M. Wolf, Alexey V. Onufriev, Thomas E. Cheatham, Donald Bashford, Holger Gohlke, Scott J. Weiner and Wei Wang and has published in prestigious journals such as Nature, Science and Chemical Reviews.

In The Last Decade

David A. Case

334 papers receiving 79.9k citations

Hit Papers

Development and testing of a general amber fo... 1984 2026 1998 2012 2004 2005 2006 2000 1984 5.0k 10.0k 15.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Development and testing of a general amber force field
    2004 15.2k citations Junmei Wang, Romain M. Wolf et al. Journal of Computational Chemistry profile →
  2. The Amber biomolecular simulation programs
    2005 7.5k citations David A. Case et al. Journal of Computational Chemistry profile →
  3. Automatic atom type and bond type perception in molecular mechanical calculations
    2006 4.4k citations Junmei Wang, Peter A. Kollman et al. profile →
  4. Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models
    2000 4.0k citations Peter A. Kollman, Lillian T. Chong et al. profile →
  5. A new force field for molecular mechanical simulation of nucleic acids and proteins
    1984 3.9k citations Peter A. Kollman, David A. Case et al. Journal of the American Chemical Society profile →
  6. An all atom force field for simulations of proteins and nucleic acids
    1986 3.0k citations Peter A. Kollman, David A. Case et al. Journal of Computational Chemistry profile →
  7. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
    2015 2.8k citations David A. Case et al. profile →
  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 2.7k citations David A. Case, James W. Caldwell et al. profile →
  9. Exploring protein native states and large‐scale conformational changes with a modified generalized born model
    2004 2.1k citations David A. Case et al. profile →
  10. An overview of the Amber biomolecular simulation package
    2012 2.0k citations Romelia Salomón–Ferrer, David A. Case et al. Wiley Interdisciplinary Reviews Computational Molecular Science profile →
  11. Force Fields for Protein Simulations
    2003 1.5k citations David A. Case et al. profile →
  12. Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices
    1998 1.4k citations Jayashree Srinivasan, Peter A. Kollman et al. Journal of the American Chemical Society profile →
  13. Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes
    2003 1.0k citations David A. Case et al. profile →
  14. Modification of the Generalized Born Model Suitable for Macromolecules
    2000 921 citations David A. Case et al. The Journal of Physical Chemistry B profile →
  15. Generalized Born Models of Macromolecular Solvation Effects
    2000 907 citations David A. Case et al. profile →
  16. Theory and applications of the generalized born solvation model in macromolecular simulations
    2000 849 citations Vickie Tsui, David A. Case Biopolymers profile →
  17. Parmbsc1: a refined force field for DNA simulations
    2015 822 citations Iván Ivani, Pablo D. Dans et al. Nature Methods profile →
  18. Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf
    2003 732 citations David A. Case et al. Journal of Computational Chemistry profile →
  19. Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters
    1995 716 citations Louis Noodleman, David A. Case et al. profile →
  20. DOCK 6: Combining techniques to model RNA–small molecule complexes
    2009 603 citations David A. Case et al. profile →
  21. DOCK 6: Impact of new features and current docking performance
    2015 563 citations David A. Case et al. Journal of Computational Chemistry profile →
  22. Three-Dimensional Solution Structure of a Single Zinc Finger DNA-Binding Domain
    1989 520 citations David A. Case et al. Science profile →
  23. GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
    2018 330 citations David S. Cerutti, David A. Case et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
David A. Case United States 96 52.2k 14.9k 10.6k 9.8k 9.3k 340 81.1k
J. Andrew McCammon United States 118 50.8k 1.0× 13.7k 0.9× 12.7k 1.2× 9.7k 1.0× 5.8k 0.6× 841 71.8k
Berk Hess Sweden 42 45.1k 0.9× 15.0k 1.0× 11.5k 1.1× 6.3k 0.6× 9.9k 1.1× 119 83.5k
Richard A. Friesner United States 96 32.3k 0.6× 10.2k 0.7× 10.6k 1.0× 13.4k 1.4× 12.0k 1.3× 369 61.8k
Erik Lindahl Sweden 54 40.9k 0.8× 12.0k 0.8× 9.1k 0.9× 5.0k 0.5× 7.4k 0.8× 197 71.6k
Alexander D. MacKerell United States 93 38.9k 0.7× 9.1k 0.6× 10.7k 1.0× 5.5k 0.6× 6.0k 0.6× 473 57.6k
Wilfred F. van Gunsteren Switzerland 99 40.3k 0.8× 18.1k 1.2× 16.4k 1.5× 4.3k 0.4× 7.6k 0.8× 531 70.0k
David van der Spoel Sweden 57 31.8k 0.6× 12.3k 0.8× 10.4k 1.0× 4.3k 0.4× 6.9k 0.7× 168 61.7k
Tom Darden United States 28 33.8k 0.6× 9.7k 0.7× 8.1k 0.8× 4.4k 0.4× 5.8k 0.6× 49 55.7k
Herman J. C. Berendsen Netherlands 67 60.3k 1.2× 24.0k 1.6× 23.3k 2.2× 6.7k 0.7× 11.8k 1.3× 164 112.9k
Klaus Schulten United States 126 63.9k 1.2× 23.6k 1.6× 21.5k 2.0× 5.0k 0.5× 10.3k 1.1× 532 120.6k

Countries citing papers authored by David A. Case

Since Specialization
Citations

This map shows the geographic impact of David A. Case's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by David A. Case with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites David A. Case more than expected).

Fields of papers citing papers by David A. Case

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by David A. Case. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by David A. Case. The network helps show where David A. Case may publish in the future.

Co-authorship network of co-authors of David A. Case

This figure shows the co-authorship network connecting the top 25 collaborators of David A. Case. A scholar is included among the top collaborators of David A. Case based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with David A. Case. David A. Case is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Wang, Hongxin, David R. Tyler, Yisong Guo, et al.. (2025). Wavelength dependent photochemistry of an iron dinitrogen hydride complex via multiple spectroscopies – competing ejection of axial ligands. Chemical Science. 16(32). 14760–14770.
2.
Case, David A., Julian C.‐H. Chen, Lillian T. Chong, et al.. (2025). Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]. PubMed. 6(1). 3871–3871. 1 indexed citations
3.
Kretsch, Rachael C., Shanshan Li, Grigore Pintilie, et al.. (2025). Complex water networks visualized by cryogenic electron microscopy of RNA. Nature. 642(8066). 250–259. 5 indexed citations
4.
5.
Zuiderweg, Erik R. P. & David A. Case. (2023). New experimental evidence for pervasive dynamics in proteins. Protein Science. 32(5). e4630–e4630. 3 indexed citations
6.
Meisburger, Steve P., David A. Case, & Nozomi Ando. (2023). Robust total X-ray scattering workflow to study correlated motion of proteins in crystals. Nature Communications. 14(1). 1228–1228. 12 indexed citations
7.
Stevens, Jacqueline J., Emre Firlar, David A. Case, et al.. (2022). Colicin E1 opens its hinge to plug TolC. eLife. 11. 15 indexed citations
8.
Zong, Guanghui, et al.. (2020). Solution NMR readily reveals distinct structural folds and interactions in doubly 13 C- and 19 F-labeled RNAs. Science Advances. 6(41). 24 indexed citations
9.
Bogetti, Anthony T., Alex J. DeGrave, Karl T. Debiec, et al.. (2020). A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics. The Journal of Chemical Physics. 153(6). 15 indexed citations
10.
Nguyen, Crystal N., Takeshi Yamazaki, Andriy Kovalenko, et al.. (2019). A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site. PLoS ONE. 14(7). e0219473–e0219473. 26 indexed citations
11.
Kraus, Jodi, Rupal Gupta, Manman Lu, et al.. (2018). Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations. The Journal of Physical Chemistry B. 122(11). 2931–2939. 8 indexed citations
12.
Quinn, Caitlin M., Mingzhang Wang, Guangjin Hou, et al.. (2018). Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MM. Physical Chemistry Chemical Physics. 20(14). 9543–9553. 9 indexed citations
13.
Keane, Sarah C., Xiao Heng, Kun Lu, et al.. (2015). Structure of the HIV-1 RNA packaging signal. Science. 348(6237). 917–921. 208 indexed citations
14.
Ivani, Iván, Pablo D. Dans, Agnes Noy, et al.. (2015). Parmbsc1: a refined force field for DNA simulations. Nature Methods. 13(1). 55–58. 822 indexed citations breakdown →
15.
Salomón–Ferrer, Romelia, David A. Case, & Ross C. Walker. (2012). An overview of the Amber biomolecular simulation package. Wiley Interdisciplinary Reviews Computational Molecular Science. 3(2). 198–210. 1957 indexed citations breakdown →
16.
Fee, James A., David A. Case, & Louis Noodleman. (2008). Toward a Chemical Mechanism of Proton Pumping by the B-Type Cytochrome c Oxidases: Application of Density Functional Theory to Cytochrome ba 3 of Thermus thermophilus. Journal of the American Chemical Society. 130(45). 15002–15021. 58 indexed citations
17.
Payne, Richard J., et al.. (2007). Extended Sugar-Assisted Ligations: Development, Scope and Applications. Journal of the American Chemical Society. 13527–13536. 1 indexed citations
18.
Wang, Junmei, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, & David A. Case. (2004). Development and testing of a general amber force field. Journal of Computational Chemistry. 25(9). 1157–1174. 15210 indexed citations breakdown →
19.
Tsui, Vickie & David A. Case. (2000). Theory and applications of the generalized born solvation model in macromolecular simulations. Biopolymers. 56(4). 275–291. 849 indexed citations breakdown →
20.
Srinivasan, Jayashree, Jennifer L. Miller, Peter A. Kollman, & David A. Case. (1998). Continuum Solvent Studies of the Stability of RNA Hairpin Loops and Helices. Journal of Biomolecular Structure and Dynamics. 16(3). 671–682. 201 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

Explore authors with similar magnitude of impact

Breakdown of academic impact, for papers by J. Andrew McCammon Breakdown of academic impact, for papers by Berk Hess Breakdown of academic impact, for papers by Richard A. Friesner Breakdown of academic impact, for papers by Erik Lindahl Breakdown of academic impact, for papers by Alexander D. MacKerell Breakdown of academic impact, for papers by Wilfred F. van Gunsteren Breakdown of academic impact, for papers by David van der Spoel Breakdown of academic impact, for papers by Tom Darden Breakdown of academic impact, for papers by Herman J. C. Berendsen Breakdown of academic impact, for papers by Klaus Schulten
Rankless by CCL
2026