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Journal Articles

Filling data analysis gaps in time-resolved crystallography by machine learning

Justin Trujillo, Russell Fung, Madan Kumar Shankar, Peter Schwander, Ahmad Hosseinizadeh
Journal: Structural Dynamics
Struct. Dyn. 12, 014101 (2025)
https://doi.org/10.1063/4.0000280
Published: January 2025
View articletitled, Filling data analysis gaps in time-resolved crystallography by machine learning
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Journal Articles

Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments

Junqi Yin, Viktor Reshniak, Siyan Liu, Guannan Zhang, Xiaoping Wang, Zhongcan Xiao, Zachary Morgan, Sylwia Pawledzio, Thomas Proffen, Christina Hoffmann, Huibo Cao, Bryan C. Chakoumakos, Yaohua Liu
Journal: Structural Dynamics
Struct. Dyn. 11, 064303 (2024)
https://doi.org/10.1063/4.0000279
Published: December 2024
View articletitled, Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments
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Journal Articles

Scaling and merging time-resolved pink-beam diffraction with variational inference

Kara A. Zielinski, Cole Dolamore, Harrison K. Wang, Robert W. Henning, Mark A. Wilson, Lois Pollack, Vukica Srajer, Doeke R. Hekstra, Kevin M. Dalton
Journal: Structural Dynamics
Struct. Dyn. 11, 064301 (2024)
https://doi.org/10.1063/4.0000269
Published: November 2024
View articletitled, Scaling and merging time-resolved pink-beam diffraction with variational inference
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Journal Articles

Laue-DIALS: Open-source software for polychromatic x-ray diffraction data

Rick A. Hewitt, Kevin M. Dalton, Derek A. Mendez, Harrison K. Wang, Margaret A. Klureza, Dennis E. Brookner, Jack B. Greisman, David McDonagh, Vukica Šrajer, Nicholas K. Sauter, Aaron S. Brewster, Doeke R. Hekstra
Journal: Structural Dynamics
Struct. Dyn. 11, 054701 (2024)
https://doi.org/10.1063/4.0000265
Published: October 2024
View articletitled, Laue-DIALS: Open-source software for polychromatic x-ray diffraction data
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Journal Articles

The time revolution in macromolecular crystallography

Georgii Khusainov, Joerg Standfuss, Tobias Weinert
Journal: Structural Dynamics
Struct. Dyn. 11, 020901 (2024)
https://doi.org/10.1063/4.0000247
Published: April 2024
View articletitled, The time revolution in macromolecular crystallography
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Journal Articles

Gigahertz streaking and compression of low-energy electron pulses

Dennis Epp, Benjamin Schröder, Marcel Möller, Claus Ropers
Journal: Structural Dynamics
Struct. Dyn. 11, 024306 (2024)
https://doi.org/10.1063/4.0000235
Published: April 2024
View articletitled, Gigahertz streaking and compression of low-energy electron pulses
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Journal Articles

The Cambridge Structural Database and structural dynamics

Hans-Beat Bürgi
Journal: Structural Dynamics
Struct. Dyn. 11, 021302 (2024)
https://doi.org/10.1063/4.0000244
Published: March 2024
View articletitled, The Cambridge Structural Database and structural dynamics
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Journal Articles

A Δ-learning strategy for interpretation of spectroscopic observables

Luke Watson, Thomas Pope, Raphael M. Jay, Ambar Banerjee, Philippe Wernet, Thomas J. Penfold
Journal: Structural Dynamics
Struct. Dyn. 10, 064101 (2023)
https://doi.org/10.1063/4.0000215
Published: November 2023
View articletitled, A Δ-learning strategy for interpretation of spectroscopic observables
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Journal Articles

Protein dynamics: The future is bright and complicated!

Kwangho Nam, Magnus Wolf-Watz
Journal: Structural Dynamics
Struct. Dyn. 10, 014301 (2023)
https://doi.org/10.1063/4.0000179
Published: February 2023
View articletitled, Protein dynamics: The future is bright and complicated!
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Journal Articles

A machine learning photon detection algorithm for coherent x-ray ultrafast fluctuation analysis

Sathya R. Chitturi, Nicolas G. Burdet, Youssef Nashed, Daniel Ratner, Aashwin Mishra, T. J. Lane, Matthew Seaberg, Vincent Esposito, Chun Hong Yoon, Mike Dunne, Joshua J. Turner
Journal: Structural Dynamics
Struct. Dyn. 9, 054302 (2022)
https://doi.org/10.1063/4.0000161
Published: October 2022
View articletitled, A machine learning photon detection algorithm for coherent x-ray ultrafast fluctuation analysis
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Journal Articles

Dependence of phase transition uniformity on crystal sizes characterized using birefringence

Saminathan Ramakrishnan, Jason R. Stagno, Valentin Magidson, William F. Heinz, Yun-Xing Wang
Journal: Structural Dynamics
Struct. Dyn. 8, 034301 (2021)
https://doi.org/10.1063/4.0000098
Published: June 2021
View articletitled, Dependence of phase transition uniformity on crystal sizes characterized using birefringence
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Includes: Supplementary data
Journal Articles

Selecting XFEL single-particle snapshots by geometric machine learning

Scilight
Eduardo R. Cruz-Chú, Ahmad Hosseinizadeh, Ghoncheh Mashayekhi, Russell Fung, Abbas Ourmazd, Peter Schwander
Journal: Structural Dynamics
Struct. Dyn. 8, 014701 (2021)
https://doi.org/10.1063/4.0000060
Published: February 2021
View articletitled, Selecting XFEL single-particle snapshots by geometric machine learning
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Includes: Supplementary data
Journal Articles

Real-time tracking of protein unfolding with time-resolved x-ray solution scattering

Scilight
L. Henry, M. R. Panman, L. Isaksson, E. Claesson, I. Kosheleva, R. Henning, S. Westenhoff, O. Berntsson
Journal: Structural Dynamics
Struct. Dyn. 7, 054702 (2020)
https://doi.org/10.1063/4.0000013
Published: September 2020
View articletitled, Real-time tracking of protein unfolding with time-resolved x-ray solution scattering
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Includes: Supplementary data
Journal Articles

JUNGFRAU detector for brighter x-ray sources: Solutions for IT and data science challenges in macromolecular crystallography

Filip Leonarski, Aldo Mozzanica, Martin Brückner, Carlos Lopez-Cuenca, Sophie Redford, Leonardo Sala, Andrej Babic, Heinrich Billich, Oliver Bunk, Bernd Schmitt, Meitian Wang
Journal: Structural Dynamics
Struct. Dyn. 7, 014305 (2020)
https://doi.org/10.1063/1.5143480
Published: February 2020
View articletitled, JUNGFRAU detector for brighter x-ray sources: Solutions for IT and data science challenges in macromolecular crystallography
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Includes: Supplementary data
Journal Articles

FACT and FAIR with Big Data allows objectivity in science: The view of crystallography

John R. Helliwell
Journal: Structural Dynamics
Struct. Dyn. 6, 054306 (2019)
https://doi.org/10.1063/1.5124439
Published: October 2019
View articletitled, FACT and FAIR with Big Data allows objectivity in science: The view of crystallography
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Journal Articles

New insights and innovation from a million crystal structures in the Cambridge Structural Database

Jason C. Cole, Seth Wiggin, Francesca Stanzione
Journal: Structural Dynamics
Struct. Dyn. 6, 054301 (2019)
https://doi.org/10.1063/1.5116878
Published: August 2019
View articletitled, New insights and innovation from a million crystal structures in the Cambridge Structural Database
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Includes: Supplementary data
Journal Articles

Preface to Special Topic: Transactions from the 66th Annual Meeting of the American Crystallographic Association

Arwen R. Pearson, Jason B. Benedict
Journal: Structural Dynamics
Struct. Dyn. 4, 032001 (2017)
https://doi.org/10.1063/1.4986292
Published: June 2017
View articletitled, Preface to Special Topic: Transactions from the 66th Annual Meeting of the American Crystallographic Association
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Journal Articles

Robust reconstruction of time-resolved diffraction from ultrafast streak cameras

Daniel S. Badali, R. J. Dwayne Miller
Journal: Structural Dynamics
Struct. Dyn. 4, 054302 (2017)
https://doi.org/10.1063/1.4985059
Published: June 2017
View articletitled, Robust reconstruction of time-resolved diffraction from ultrafast streak cameras
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Journal Articles

Improving temporal resolution of ultrafast electron diffraction by eliminating arrival time jitter induced by radiofrequency bunch compression cavities

J. G. H. Franssen, O. J. Luiten
Journal: Structural Dynamics
Struct. Dyn. 4, 044026 (2017)
https://doi.org/10.1063/1.4984104
Published: May 2017
View articletitled, Improving temporal resolution of ultrafast electron diffraction by eliminating arrival time jitter induced by radiofrequency bunch compression cavities
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Journal Articles

Augmenting the anisotropic network model with torsional potentials improves PATH performance, enabling detailed comparison with experimental rate data

Srinivas Niranj Chandrasekaran, Charles W. Carter, Jr.
Journal: Structural Dynamics
Struct. Dyn. 4, 032103 (2017)
https://doi.org/10.1063/1.4976142
Published: February 2017
View articletitled, Augmenting the anisotropic network model with torsional potentials improves PATH performance, enabling detailed comparison with experimental rate data
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