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Journal Articles

Structure determination by NMR Crystallography, from microcrystalline powders to amorphous molecular solids

Open Access
Lyndon Emsley
Journal: Structural Dynamics
Struct. Dyn. 12, A112 (2025)
https://doi.org/10.1063/4.0000421
Published: April 2025
View articletitled, Structure determination by NMR Crystallography, from microcrystalline powders to amorphous molecular solids
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Journal Articles

Speeding up drug discovery with high-quality and high-reliability crystallography-based library screening

Open Access
Debanu Das
Journal: Structural Dynamics
Struct. Dyn. 12, A1 (2025)
https://doi.org/10.1063/4.0000310
Published: April 2025
View articletitled, Speeding up drug discovery with high-quality and high-reliability crystallography-based library screening
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Journal Articles

Secretory biogenesis and design of a next-generation coronavirus genetic vaccine

Open Access
Suruchi Singh, Meghan C. Burke-Harris, Yi Liu, Fiona L Kearns, Rui Yin, Toheeb Balogun, Benjamin Jennings, Brian Pierce, Balraj Doray, Rommie Amaro, Stephen E. Stein, S. Saif Hasan
Journal: Structural Dynamics
Struct. Dyn. 12, A137 (2025)
https://doi.org/10.1063/4.0000446
Published: April 2025
View articletitled, Secretory biogenesis and design of a next-generation coronavirus genetic vaccine
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Journal Articles

Folding Dynamics of Telomere G-Quadruplexes: Insights from Time-Resolved SAXS and Biophysical Approaches

Open Access
Robert Monsen, John Trent, Jonathan Chaires
Journal: Structural Dynamics
Struct. Dyn. 12, A31 (2025)
https://doi.org/10.1063/4.0000340
Published: April 2025
View articletitled, Folding Dynamics of Telomere G-Quadruplexes: Insights from Time-Resolved SAXS and Biophysical Approaches
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Journal Articles

Viral RNA structural mimics of the mRNA 5′ cap

Open Access
Deepak Koirala
Journal: Structural Dynamics
Struct. Dyn. 12, A125 (2025)
https://doi.org/10.1063/4.0000434
Published: April 2025
View articletitled, Viral RNA structural mimics of the mRNA 5′ cap
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Journal Articles

High conservation doesn't always translate: A comparison of ATAD2 and ATAD2B structure and function

Open Access
Kiera Malone, Margaret Phillips, Ajit Singh, Isabelle Kressy, Brian Boyle, James Lignos, Jay Nix, Karen Glass
Journal: Structural Dynamics
Struct. Dyn. 12, A67 (2025)
https://doi.org/10.1063/4.0000376
Published: April 2025
View articletitled, High conservation doesn't always translate: A comparison of ATAD2 and ATAD2B structure and function
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Journal Articles

The C5α-Methyl Substituted Carbapenem NA-1-157 Inhibits the Class A Carbapenemase GES-5

Open Access
Clyde Smith, Nichole Stewart, Marta Toth, John Buynak, Sergei Vakulenko
Journal: Structural Dynamics
Struct. Dyn. 12, A245 (2025)
https://doi.org/10.1063/4.0000551
Published: April 2025
View articletitled, The C5α-Methyl Substituted Carbapenem NA-1-157 Inhibits the Class A Carbapenemase GES-5
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Journal Articles

Structural changes in Photosystem II using time-resolved X-ray free-electron (XFEL) crystallography and crystalline molecular dynamics.

Open Access
Asmit Bhowmick, Rana Hussein, Philipp Simon, Jan Kern, Vittal Yachandra, Junko Yano
Journal: Structural Dynamics
Struct. Dyn. 12, A80 (2025)
https://doi.org/10.1063/4.0000389
Published: April 2025
View articletitled, Structural changes in Photosystem II using time-resolved X-ray free-electron (XFEL) crystallography and crystalline molecular dynamics.
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Journal Articles

Improving Cryo-EM Experimental Data Fit with Automated Multiconformer Modeling for Proteins and Non-proteins

Open Access
Stephanie Wankowicz, Jessica Flowers, Daniel Hogan, Ashraya Ravikumar, James Fraser
Journal: Structural Dynamics
Struct. Dyn. 12, A79 (2025)
https://doi.org/10.1063/4.0000388
Published: April 2025
View articletitled, Improving Cryo-EM Experimental Data Fit with Automated Multiconformer Modeling for Proteins and Non-proteins
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Journal Articles

Quantum-based atomic model refinement becomes reality

Open Access
Pavel Afonine, Malgorzata Biczysko, Hatice Gökcan, Olexandr Isayev, Holger Kruse, Nigel Moriarty, Mark Waller, Roman Zubatyuk, Adrian Roitberg
Journal: Structural Dynamics
Struct. Dyn. 12, A74 (2025)
https://doi.org/10.1063/4.0000383
Published: April 2025
View articletitled, Quantum-based atomic model refinement becomes reality
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Journal Articles

Structure of saguaro cactus virus 3′ translational enhancer mimics 5′ cap for eIF4E binding

Open Access
Manju Ojha, Jeff Vogt, Naba Krishna Das, Emily Redmond, Karndeep Singh, Hasan Al Banna, Tasnia Sadat, Deepak Koirala
Journal: Structural Dynamics
Struct. Dyn. 12, A21 (2025)
https://doi.org/10.1063/4.0000330
Published: April 2025
View articletitled, Structure of saguaro cactus virus 3′ translational enhancer mimics 5′ cap for eIF4E binding
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Journal Articles

Visualization of transient states and molecular motions in the catalytic cycle of the proline catabolic bifunctional enzyme Proline Utilization A from kinetic crystallography and molecular dynamics simulations

Open Access
David Buckley, John Tanner
Journal: Structural Dynamics
Struct. Dyn. 12, A220 (2025)
https://doi.org/10.1063/4.0000527
Published: April 2025
View articletitled, Visualization of transient states and molecular motions in the catalytic cycle of the proline catabolic bifunctional enzyme Proline Utilization A from kinetic crystallography and molecular dynamics simulations
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Journal Articles

Using the Quantum Interface in Phenix to improve macromolecular model and ligand structures

Open Access
Nigel Moriarty, Jonathan Moussa, Paul Adams
Journal: Structural Dynamics
Struct. Dyn. 12, A55 (2025)
https://doi.org/10.1063/4.0000364
Published: April 2025
View articletitled, Using the Quantum Interface in Phenix to improve macromolecular model and ligand structures
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Journal Articles

The nature of dynamic local order in hybrid lead halide perovskites

Open Access
Nicholas Weadock, Tyler Sterling, Julian Vigil, Ballal Ahammed, Matthew Krogstad, Feng Ye, David Voneshen, Peter Gehring, Andrew Rappe, Hans-Georg Steinrueck, Elif Ertekin, Hemamala Karunadasa, Dmitry Reznik, Michael Toney
Journal: Structural Dynamics
Struct. Dyn. 12, A52 (2025)
https://doi.org/10.1063/4.0000361
Published: April 2025
View articletitled, The nature of dynamic local order in hybrid lead halide perovskites
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Journal Articles

How biochemists became flexible in their views on the ability of structural techniques to illuminate the dynamics of proteins

Open Access
Gregory Petsko
Journal: Structural Dynamics
Struct. Dyn. 12, A167 (2025)
https://doi.org/10.1063/4.0000476
Published: April 2025
View articletitled, How biochemists became flexible in their views on the ability of structural techniques to illuminate the dynamics of proteins
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Journal Articles

Fuzzy interactions maintain cognate pairings in TA systems

Open Access
Christina Bourne, Kevin Snead, Felipe Avelino da Costa Ferreira
Journal: Structural Dynamics
Struct. Dyn. 12, A153 (2025)
https://doi.org/10.1063/4.0000462
Published: April 2025
View articletitled, Fuzzy interactions maintain cognate pairings in TA systems
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Journal Articles

Predicting protein structure and dynamics with deep learning and solution scattering

Open Access
Scott Classen, Michal Hammel
Journal: Structural Dynamics
Struct. Dyn. 12, A93 (2025)
https://doi.org/10.1063/4.0000402
Published: April 2025
View articletitled, Predicting protein structure and dynamics with deep learning and solution scattering
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Journal Articles

Cryo-EM and Molecular Dynamics Simulations Reveal Hidden Conformational Dynamics Controlling Ammonia Transport in Human Asparagine Synthetase

Open Access
Yuichiro Takagi, Wen Zu, Matthijn Vos, Vincent Chaptal, Nigel Richards
Journal: Structural Dynamics
Struct. Dyn. 12, A91 (2025)
https://doi.org/10.1063/4.0000400
Published: April 2025
View articletitled, Cryo-EM and Molecular Dynamics Simulations Reveal Hidden Conformational Dynamics Controlling Ammonia Transport in Human Asparagine Synthetase
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Journal Articles

Learning many-body potential energy landscape for analysis of neutron scattering data

Open Access
Gaurav Vishwakarma, Christina Hoffmann
Journal: Structural Dynamics
Struct. Dyn. 12, A40 (2025)
https://doi.org/10.1063/4.0000349
Published: April 2025
View articletitled, Learning many-body potential energy landscape for analysis of neutron scattering data
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Journal Articles

Refining RNA Structures for Rational Drug Design: Atomistic structure of the SARS-CoV-2 pseudoknot in solution from SAXS- driven molecular dynamics

Open Access
Josue San Emeterio
Journal: Structural Dynamics
Struct. Dyn. 12, A327 (2025)
https://doi.org/10.1063/4.0000633
Published: April 2025
View articletitled, Refining RNA Structures for Rational Drug Design: Atomistic structure of the SARS-CoV-2 pseudoknot in solution from SAXS- driven molecular dynamics
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