Structural Dynamics | AIP Publishing

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Current Issue

Volume 11,

Issue 5,

September 2024

Focus and Coverage

Structural Dynamics focuses on recent developments in experimental and theoretical methods and techniques that explore electronic and geometric structure as well as the changes of chemical, biological, and condensed-matter systems over time. The community of scientists and engineers working on either structure or dynamics may work across diverse systems, but often share similar instrumentation and methods. Hence, the journal seeks to create connections across a variety of fields of study and also to support communications between these cultures. Structural Dynamics (SDY) is co-published by AIP Publishing and the ACA (The Structural Science Society), and it publishes articles from a global community of researchers that advance and promote crystallography and structural science.

Editor-in-Chief

George N. Phillips, Jr.

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Research Article

| November 26 2024

Comprehensive characterization of gas dynamic virtual nozzles for x-ray free-electron laser experiments

Konstantinos Karpos, Sahba Zaare et al.

We introduce a hardware–software system for rapidly characterizing liquid microjets for x-ray diffraction experiments. An open-source python-based software package allows for programmatic and ...

Research Article

| November 25 2024

ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models

Viet Thanh Duy Nguyen, Nhan D. Nguyen et al.

Proteins, serving as the fundamental architects of biological processes, interact with ligands to perform a myriad of functions essential for life. Designing functional ligand-binding proteins is ...

Research Article

| November 08 2024

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Diego Turenne, Igor Vaskivskyi et al.

Light–matter interaction at the nanoscale in magnetic alloys and heterostructures is a topic of intense research in view of potential applications in high-density magnetic recording. While the ...

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Featured Articles

Research Article

| November 26 2024

Comprehensive characterization of gas dynamic virtual nozzles for x-ray free-electron laser experiments

Konstantinos Karpos, Sahba Zaare et al.

We introduce a hardware–software system for rapidly characterizing liquid microjets for x-ray diffraction experiments. An open-source python-based software package allows for programmatic and ...

Research Article

| September 30 2024

Spatiotemporal determination of photoinduced strain in a Weyl semimetal

Jianyu Wu, Amit Kumar Prasad et al.

The application of dynamic strain holds the potential to manipulate topological invariants in topological quantum materials. This study investigates dynamic structural deformation and strain ...

Research Article

| May 17 2024

Identifying protein conformational states in the Protein Data Bank: Toward unlocking the potential of integrative dynamics studies

Joseph I. J. Ellaway, Stephen Anyango et al.

Studying protein dynamics and conformational heterogeneity is crucial for understanding biomolecular systems and treating disease. Despite the deposition of over 215 000 macromolecular structures in ...

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Editor's Picks

Research Article

| November 08 2024

Asymmetric conformation of the high-spin state of iron(II)-tris(2,2-bipyridine): Time-resolved x-ray absorption and ultraviolet circular dichroism

Nico Sanna, Costantino Zazza et al.

We analyze the structures of the low-spin (LS) ground state and the high-spin (HS) lowest excited state of the iron-(II)-tris bipyridine complex ([Fe(bpy)₃]²⁺) using density functional theory PBE ...

Research Article

| July 24 2024

Appraising protein conformational changes by resampling time-resolved serial x-ray crystallography data

Adams Vallejos, Gergely Katona et al.

With the development of serial crystallography at both x-ray free electron laser and synchrotron radiation sources, time-resolved x-ray crystallography is increasingly being applied to study ...

Review Article

| May 01 2024

A comparative review of time-resolved x-ray and electron scattering to probe structural dynamics

Yunbeom Lee, Key Young Oang et al.

The structure of molecules, particularly the dynamic changes in structure, plays an essential role in understanding physical and chemical phenomena. Time-resolved (TR) scattering techniques serve as ...

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