1-20 of 69
Computer science and technology
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Aminoacyl-tRNA synthetase urzymes optimized by deep learning behave as a quasispecies

Sourav Kumar Patra, Nicholas Randolph, Brian Kuhlman, Henry Dieckhaus, Laurie Betts, Jordan Douglas, Peter R. Wills, Charles W. Carter, Jr.
Journal: Structural Dynamics
Struct. Dyn. 12, 024701 (2025)
https://doi.org/10.1063/4.0000294
Published: April 2025
View articletitled, Aminoacyl-tRNA synthetase urzymes optimized by deep learning behave as a quasispecies
Open the PDF for Aminoacyl-tRNA synthetase urzymes optimized by deep learning behave as a quasispecies in another window
Journal Articles

Scaling Scaling: Stochastic Variational Inference for X-ray Diffraction Data

Kevin Dalton, Doeke Hekstra
Journal: Structural Dynamics
Struct. Dyn. 12, A319 (2025)
https://doi.org/10.1063/4.0000625
Published: April 2025
View articletitled, Scaling Scaling: Stochastic Variational Inference for X-ray Diffraction Data
Open the PDF for Scaling Scaling: Stochastic Variational Inference for X-ray Diffraction Data in another window
Journal Articles

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

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
Open the PDF for Structure determination by NMR Crystallography, from microcrystalline powders to amorphous molecular solids in another window
Journal Articles

4-Dimensional Scanning Transmission Electron Microscopy (4D-STEM): An Emerging Technique for Imaging and Structure Determination

Roger Durst, Niels de Jonge, Sergey Lazarov, Jeorg Kaercher
Journal: Structural Dynamics
Struct. Dyn. 12, A234 (2025)
https://doi.org/10.1063/4.0000540
Published: April 2025
View articletitled, 4-Dimensional Scanning Transmission Electron Microscopy (4D-STEM): An Emerging Technique for Imaging and Structure Determination
Open the PDF for 4-Dimensional Scanning Transmission Electron Microscopy (4D-STEM): An Emerging Technique for Imaging and Structure Determination in another window
Journal Articles

Cryo-EM Reconstruction and Interpretation: Leveraging Application-Specific Machine Learning

Dari Kimanius
Journal: Structural Dynamics
Struct. Dyn. 12, A152 (2025)
https://doi.org/10.1063/4.0000461
Published: April 2025
View articletitled, Cryo-EM Reconstruction and Interpretation: Leveraging Application-Specific Machine Learning
Open the PDF for Cryo-EM Reconstruction and Interpretation: Leveraging Application-Specific Machine Learning in another window
Journal Articles

Predicting RNA structure and dynamics with deep learning and solution scattering

Edan Patt, Scott Classen, Dina Schneidman, Michal Hammel
Journal: Structural Dynamics
Struct. Dyn. 12, A71 (2025)
https://doi.org/10.1063/4.0000380
Published: April 2025
View articletitled, Predicting RNA structure and dynamics with deep learning and solution scattering
Open the PDF for Predicting RNA structure and dynamics with deep learning and solution scattering in another window
Journal Articles

KINNTREX: A Neural Network Unveils Protein Mechanism from Time Resolved X-ray Crystallography

Marius Schmidt, Tek Malla, Peter Schwander, Gabi Biener
Journal: Structural Dynamics
Struct. Dyn. 12, A62 (2025)
https://doi.org/10.1063/4.0000371
Published: April 2025
View articletitled, KINNTREX: A Neural Network Unveils Protein Mechanism from Time Resolved X-ray Crystallography
Open the PDF for KINNTREX: A Neural Network Unveils Protein Mechanism from Time Resolved X-ray Crystallography in another window
Journal Articles

Automatic structure classification – new tools and approaches

Peter Khalifah, Yusu Wang
Journal: Structural Dynamics
Struct. Dyn. 12, A225 (2025)
https://doi.org/10.1063/4.0000531
Published: April 2025
View articletitled, Automatic structure classification – new tools and approaches
Open the PDF for Automatic structure classification – new tools and approaches in another window
Journal Articles

Real-time Data Analysis with the LCLS-II Data System

Valerio Mariani, Richard Claus, Daniel Damiani, Christopher Ford, Mikhail Dubrovin, Wilko Kroeger, Stefano Marchesini, Riccardo Melchiorri, Silke Nelson, Frederic Poitevin, Christopher O'Grady, Julieth Wallace, Omar Quijano, Murali Shankar, Monarin Uervirojnangkoorn, Matt Weaver, Seshu Yamajala, Cong Wang, Vincent Esposito, Jana Thayer
Journal: Structural Dynamics
Struct. Dyn. 12, A223–A224 (2025)
https://doi.org/10.1063/4.0000530
Published: April 2025
View articletitled, Real-time Data Analysis with the LCLS-II Data System
Open the PDF for Real-time Data Analysis with the LCLS-II Data System in another window
Journal Articles

Combined Machine Learning and Exhaustive Symmetry Approach for Phase Transition Studies

Dayton Kizzire, Maksim Eremenko, Matt Tucker, Yuanpeng Zhang
Journal: Structural Dynamics
Struct. Dyn. 12, A126 (2025)
https://doi.org/10.1063/4.0000435
Published: April 2025
View articletitled, Combined Machine Learning and Exhaustive Symmetry Approach for Phase Transition Studies
Open the PDF for Combined Machine Learning and Exhaustive Symmetry Approach for Phase Transition Studies in another window
Journal Articles

Integrated AI/ML and HPC Framework for Multidimensional Neutron Crystallography

Xiaoping Wang, Guannan Zhang, Junqi Yin, Siyan Liu, Viktor Reshniak, Zachary Morgan, Sylwia Pawledzio, Thomas Proffen, Huibo Cao, Bryan Chakoumakos, Christina Hoffmann, Yaohua Liu
Journal: Structural Dynamics
Struct. Dyn. 12, A30 (2025)
https://doi.org/10.1063/4.0000339
Published: April 2025
View articletitled, Integrated AI/ML and HPC Framework for Multidimensional Neutron Crystallography
Open the PDF for Integrated AI/ML and HPC Framework for Multidimensional Neutron Crystallography in another window
Journal Articles

Musclex – DI – A powerful data analysis package for X-ray scanning diffraction experiments

Rama S. Madhurapantula, Joseph P. R. O. Orgel, Weikang Ma, Thomas Irving
Journal: Structural Dynamics
Struct. Dyn. 12, A261 (2025)
https://doi.org/10.1063/4.0000567
Published: April 2025
View articletitled, Musclex – DI – A powerful data analysis package for X-ray scanning diffraction experiments
Open the PDF for Musclex – DI – A powerful data analysis package for X-ray scanning diffraction experiments in another window
Journal Articles

Current and future strategies for end-to-end data analysis at LCLS

Fred Poitevin, Richard Claus, Dan Damiani, Christopher Ford, Mikhail Dubrovin, Wilko Kroeger, Stefano Marchesini, Valerio Mariani, Riccardo Melchiorri, Silke Nelson, Chris O'Grady, Julieth Otero, Omar Quijano, Murali Shankar, Monarin Uervirojnangkoorn, Matthew Weaver, Seshu Yamajala, Cong Wang, Jana Thayer
Journal: Structural Dynamics
Struct. Dyn. 12, A260 (2025)
https://doi.org/10.1063/4.0000566
Published: April 2025
View articletitled, Current and future strategies for end-to-end data analysis at LCLS
Open the PDF for Current and future strategies for end-to-end data analysis at LCLS in another window
Journal Articles

Integrating Semi-Supervised Learning and Transformer Neural Networks for Lesion Classification in Alzheimer's Disease Pathology

Abdullah Al Bashit, Prakash Nepal, Lee Makowski
Journal: Structural Dynamics
Struct. Dyn. 12, A161 (2025)
https://doi.org/10.1063/4.0000470
Published: April 2025
View articletitled, Integrating Semi-Supervised Learning and Transformer Neural Networks for Lesion Classification in Alzheimer's Disease Pathology
Open the PDF for Integrating Semi-Supervised Learning and Transformer Neural Networks for Lesion Classification in Alzheimer's Disease Pathology in another window
Journal Articles

CRAFT (CENTER FOR THE RESEARCH AND ADVANCEMENT IN FRAGMENTS AND MOLECULAR TARGETS) : A BRAZILIAN CENTER FOR DRUG DISCOVERY

Maria Cristina Nonato, Flavio da Silva Emery, Carolina Horta Andrade
Journal: Structural Dynamics
Struct. Dyn. 12, A150 (2025)
https://doi.org/10.1063/4.0000459
Published: April 2025
View articletitled, CRAFT (CENTER FOR THE RESEARCH AND ADVANCEMENT IN FRAGMENTS AND MOLECULAR TARGETS) : A BRAZILIAN CENTER FOR DRUG DISCOVERY
Open the PDF for CRAFT (CENTER FOR THE RESEARCH AND ADVANCEMENT IN FRAGMENTS AND MOLECULAR TARGETS) : A BRAZILIAN CENTER FOR DRUG DISCOVERY in another window
Journal Articles

Laue-DIALS: open-source software for polychromatic X-ray diffraction data

Rick Hewitt, Kevin Dalton, Derek Mendez, Harrison Wang, Margaret Klureza, Dennis Brookner, Vukica Šrajer, Nicholas Sauter, Aaron Brewster, Doeke Hekstra
Journal: Structural Dynamics
Struct. Dyn. 12, A253 (2025)
https://doi.org/10.1063/4.0000559
Published: April 2025
View articletitled, Laue-DIALS: open-source software for polychromatic X-ray diffraction data
Open the PDF for Laue-DIALS: open-source software for polychromatic X-ray diffraction data in another window
Journal Articles

Using Jmol to engage students and teach crystallography and crystallographic symmetry

Dean Johnston, Robert Hanson
Journal: Structural Dynamics
Struct. Dyn. 12, A170 (2025)
https://doi.org/10.1063/4.0000479
Published: April 2025
View articletitled, Using Jmol to engage students and teach crystallography and crystallographic symmetry
Open the PDF for Using Jmol to engage students and teach crystallography and crystallographic symmetry in another window
Journal Articles

Quantum-based atomic model refinement becomes reality

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
Open the PDF for Quantum-based atomic model refinement becomes reality in another window
Journal Articles

Distinguishing isotropic and anisotropic signals for X-ray scattering data using machine learning

Danielle Alverson, Daniel Olds, Megan Butala
Journal: Structural Dynamics
Struct. Dyn. 12, A46 (2025)
https://doi.org/10.1063/4.0000355
Published: April 2025
View articletitled, Distinguishing isotropic and anisotropic signals for X-ray scattering data using machine learning
Open the PDF for Distinguishing isotropic and anisotropic signals for X-ray scattering data using machine learning in another window
Journal Articles

VOICE COMPUTING IN BIOLOGICAL CRYSTALLOGRAPHY

Blaine Mooers
Journal: Structural Dynamics
Struct. Dyn. 12, A297 (2025)
https://doi.org/10.1063/4.0000603
Published: April 2025
View articletitled, VOICE COMPUTING IN BIOLOGICAL CRYSTALLOGRAPHY
Open the PDF for VOICE COMPUTING IN BIOLOGICAL CRYSTALLOGRAPHY in another window