🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Michael E. Wall

Los Alamos National Laboratory

ORCID: 0000-0003-1000-688X
Biochemistry, Genetics and Molecular BiologyMaterials SciencePhysics and Astronomy

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile
0Author DataRank

Indexed papers

1in pilot corpus
datarank_citation_only_1hop_v6· scope data_onlyMethodology
Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 1 indexed paper attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

Top data-sharing exemplar

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

Structure-Based Experimental Datasets for Benchmarking of Protein Simulation Force Fields

PubMed(2023)10.5281/zenodo.7697462
Top 100%
0DataRank
Top 100%0 citations

David A. Case, Julian C.-H. Chen, Lillian T. Chong, D.A. Keedy, Kresten Lindorff‐Larsen +9 more

Papers

Driven by 14 papers — median percentile 0. Top paper: “Molecular-dynamics simulation methods for macromolecular crystallography”.

Molecular-dynamics simulation methods for macromolecular crystallography

Acta Crystallographica Section D Structural Biology(2022)10.1107/s2059798322011871
N/A
0.500DataRank · unranked
27 citations

Phillip C. Aoto, Lily Vu, Alexander M. Wolff, David L. Mobley, James S. Fraser +3 more

Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography

Insecta mundi(2023)10.1101/2023.08.15.553460
N/A
0.208DataRank · unranked
3 citations

Medhanjali Dasgupta, David C. Wych, Cole Dolamore, Raymond G. Sierra, Stella Lisova +20 more

Reproducibility of protein X-ray diffuse scattering and potential utility for modeling atomic displacement parameters

Insecta mundi(2021)10.1101/2021.01.24.428002
N/A
0.165DataRank · unranked
2 citations

Medhanjali Dasgupta, Frédéric Poitevin, Irimpan I. Mathews, Henry van den Bedem, Michael E. Wall +3 more

Interpreting macromolecular diffraction through simulation

Methods in enzymology on CD-ROM/Methods in enzymology(2023)10.1016/bs.mie.2023.06.011
N/A
0DataRank · unranked
1 citations

Derek Mendez, Billy K. Poon, Johannes Blaschke, Felix Wittwer, Michael E. Wall +2 more

Structure-Based Experimental Datasets for Benchmarking of Protein Simulation Force Fields

PubMed(2023)10.5281/zenodo.7697462
Top 100%
0DataRank
Top 100%0 citations

David A. Case, Julian C.-H. Chen, Lillian T. Chong, D.A. Keedy, Kresten Lindorff‐Larsen +9 more

Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography

Science Advances(2024)10.1126/sciadv.adk7201
N/A
0DataRank · unranked
15 citations

Medhanjali Dasgupta, David C. Wych, Cole Dolamore, Raymond G. Sierra, Stella Lisova +21 more

ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science

Frontiers in High Performance Computing(2024)10.3389/fhpcp.2024.1414569
N/A
0DataRank · unranked
2 citations

Robert Bolotovsky, Aaron S. Brewster, Jeffrey J. Donatelli, Antoine Dujardin, Wu-chun Feng +22 more

Reactive Quantum-Mechanical Molecular Dynamics Simulations to Reveal Mechanisms of Enzyme Catalysis

ChemRxiv(2025)10.26434/chemrxiv-2025-fq66p
N/A
0DataRank · unranked
0 citations

Michael A. Moxley, Christian F. A. Negre, M. J. Cawkwell, Anders M. N. Niklasson, Susan M. Mniszewski +5 more

Reactive Quantum-Mechanical Molecular Dynamics Simulations to Reveal Mechanisms of Enzyme Catalysis

ChemRxiv(2025)10.26434/chemrxiv-2025-fq66p-v2
N/A
0DataRank · unranked
0 citations

Michael A. Moxley, Christian F. A. Negre, M. J. Cawkwell, Anders M. N. Niklasson, Susan M. Mniszewski +5 more

Reactive Quantum-Mechanical Molecular Dynamics Simulations to Reveal Mechanisms of Enzyme Catalysis

ChemRxiv(2025)10.26434/chemrxiv-2025-fq66p-v4
N/A
0DataRank · unranked
0 citations

Michael A. Moxley, Christian F. A. Negre, M. J. Cawkwell, Anders M. N. Niklasson, Susan M. Mniszewski +5 more

Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters

Structural Dynamics(2021)10.1063/4.0000087
N/A
0DataRank · unranked
8 citations

Medhanjali Dasgupta, Frédéric Poitevin, Irimpan I. Mathews, Henry van den Bedem, Michael E. Wall +3 more

Reactive Quantum-Mechanical Molecular Dynamics Simulations to Reveal Mechanisms of Enzyme Catalysis

ChemRxiv(2025)10.26434/chemrxiv-2025-fq66p-v3
N/A
0DataRank · unranked
0 citations

Michael A. Moxley, Christian F. A. Negre, M. J. Cawkwell, Anders M. N. Niklasson, Susan M. Mniszewski +5 more

Molecular-Dynamics Simulation Methods for Macromolecular Crystallography

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.04.04.486986
N/A
0DataRank · unranked
4 citations

Phillip C. Aoto, Lily Vu, Alexander M. Wolff, David L. Mobley, James S. Fraser +3 more

Water Networks in Photosystem II Using Crystalline Molecular Dynamics Simulations and Room-Temperature XFEL Serial Crystallography

Journal of the American Chemical Society(2023)10.1021/jacs.3c01412
N/A
0DataRank · unranked
37 citations

Asmit Bhowmick, David C. Wych, Louise Lassalle, Philipp S. Simon, James M. Holton +6 more