Page 1 | Search Results | American Crystallographic Association Inc

1-20 of 115

Sort by

Sort Order Select

Journal Articles

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

Viet Thanh Duy Nguyen, Nhan D. Nguyen, Truong Son Hy

Struct. Dyn. 11, 064102 (2024)

https://doi.org/10.1063/4.0000271

Published: November 2024

View article titled, ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models

Journal Articles

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Diego Turenne, Igor Vaskivskyi, Klaus Sokolowski-Tinten, Xijie J. Wang, Alexander H. Reid, Xiaozhe Shen, Ming-Fu Lin, Suji Park, Stephen Weathersby, Michael Kozina, Matthias C. Hoffmann, Jian Wang, Jakub Sebesta, Yukiko K. Takahashi, Oscar Grånäs, Peter M. Oppeneer, Hermann A. Dürr

Struct. Dyn. 11, 064501 (2024)

https://doi.org/10.1063/4.0000260

Published: November 2024

View article titled, Element-specific ultrafast lattice dynamics in FePt nanoparticles

Journal Articles

Transient heating of Pd nanoparticles studied by x-ray diffraction with time of arrival photon detection

Simon Chung, Vedran Vonk, David Pennicard, Heinz Graafsma, Andreas Stierle

Struct. Dyn. 11, 044301 (2024)

https://doi.org/10.1063/5.0189052

Published: July 2024

View article titled, Transient heating of Pd nanoparticles studied by x-ray diffraction with time of arrival photon detection

Journal Articles

Watching a signaling protein function: What has been learned over four decades of time-resolved studies of photoactive yellow protein

Friedrich Schotte, Hyun Sun Cho, Fred Dyda, Philip Anfinrud

Struct. Dyn. 11, 021303 (2024)

https://doi.org/10.1063/4.0000241

Published: April 2024

View article titled, Watching a signaling protein function: What has been learned over four decades of time-resolved studies of photoactive yellow protein

Includes: Supplementary data

Journal Articles

The Cambridge Structural Database and structural dynamics

Hans-Beat Bürgi

Struct. Dyn. 11, 021302 (2024)

https://doi.org/10.1063/4.0000244

Published: March 2024

View article titled, The Cambridge Structural Database and structural dynamics

Journal Articles

High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: Signatures of attosecond charge migration

Andres Tehlar, Jakob T. Casanova, Andrey Dnestryan, Frank Jensen, Lars Bojer Madsen, Oleg I. Tolstikhin, Hans Jakob Wörner

Struct. Dyn. 11, 014304 (2024)

https://doi.org/10.1063/4.0000227

Published: February 2024

View article titled, High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: Signatures of attosecond charge migration

Journal Articles

Theoretical study of time-resolved photoelectron circular dichroism in the photodissociation of a chiral molecule

Marit R. Fiechter, Vít Svoboda, Hans Jakob Wörner

Struct. Dyn. 10, 064103 (2023)

https://doi.org/10.1063/4.0000213

Published: December 2023

View article titled, Theoretical study of time-resolved photoelectron circular dichroism in the photodissociation of a chiral molecule

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

Struct. Dyn. 10, 064101 (2023)

https://doi.org/10.1063/4.0000215

Published: November 2023

View article titled, A Δ-learning strategy for interpretation of spectroscopic observables

Journal Articles

Electron population dynamics in resonant non-linear x-ray absorption in nickel at a free-electron laser

Struct. Dyn. 10, 054501 (2023)

https://doi.org/10.1063/4.0000206

Published: October 2023

View article titled, Electron population dynamics in resonant non-linear x-ray absorption in nickel at a free-electron laser

Journal Articles

Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

Struct. Dyn. 10, 054302 (2023)

https://doi.org/10.1063/4.0000197

Published: October 2023

View article titled, Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

Journal Articles

In crystallo observation of active site dynamics and transient metal ion binding within DNA polymerases

Caleb Chang, Grace Zhou, Yang Gao

Struct. Dyn. 10, 034702 (2023)

https://doi.org/10.1063/4.0000187

Published: June 2023

View article titled, In crystallo observation of active site dynamics and transient metal ion binding within DNA polymerases

Journal Articles

Charge-induced chemical dynamics in glycine probed with time-resolved Auger electron spectroscopy

Struct. Dyn. 9, 064301 (2022)

https://doi.org/10.1063/4.0000165

Published: November 2022

View article titled, Charge-induced chemical dynamics in glycine probed with time-resolved Auger electron spectroscopy

Journal Articles

Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays

Sourav Banerjee, Zoltan Jurek, Malik Muhammad Abdullah, Robin Santra

Struct. Dyn. 9, 054101 (2022)

https://doi.org/10.1063/4.0000166

Published: October 2022

View article titled, Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays

Journal Articles

Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)

Yuqing Li, Zehua Han, Changli Ma, Liang Hong, Yanwei Ding, Ye Chen, Junpeng Zhao, Dong Liu, Guangai Sun, Taisen Zuo, He Cheng, Charles C. Han

Struct. Dyn. 9, 054901 (2022)

https://doi.org/10.1063/4.0000158

Published: September 2022

View article titled, Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)

Journal Articles

Low-temperature nanoscale heat transport in a gadolinium iron garnet heterostructure probed by ultrafast x-ray diffraction

Deepankar Sri Gyan, Danny Mannix, Dina Carbone, James L. Sumpter, Stephan Geprägs, Maxim Dietlein, Rudolf Gross, Andrius Jurgilaitis, Van-Thai Pham, Hélène Coudert-Alteirac, Jörgen Larsson, Daniel Haskel, Jörg Strempfer, Paul G. Evans

Struct. Dyn. 9, 045101 (2022)

https://doi.org/10.1063/4.0000154

Published: July 2022

View article titled, Low-temperature nanoscale heat transport in a gadolinium iron garnet heterostructure probed by ultrafast x-ray diffraction

Journal Articles

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

Gabriel L. S. Rodrigues, Elias Diesen, Johannes Voss, Patrick Norman, Lars G. M. Pettersson

Struct. Dyn. 9, 014101 (2022)

https://doi.org/10.1063/4.0000135

Published: January 2022

View article titled, Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

Includes: Supplementary data

Journal Articles

Quasielastic neutron scattering study on proton dynamics assisted by water and ammonia molecules confined in MIL-53

Satoshi Miyatsu, Maiko Kofu, Akihito Shigematsu, Teppei Yamada, Hiroshi Kitagawa, Wiebke Lohstroh, Giovanna Simeoni, Madhusudan Tyagi, Osamu Yamamuro

Struct. Dyn. 8, 054501 (2021)

https://doi.org/10.1063/4.0000122

Published: October 2021

View article titled, Quasielastic neutron scattering study on proton dynamics assisted by water and ammonia molecules confined in MIL-53

Journal Articles

Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations

V. S. Sandeep Inakollu, Haibo Yu

Struct. Dyn. 8, 054101 (2021)

https://doi.org/10.1063/4.0000124

Published: September 2021

View article titled, Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations

Journal Articles

A novel free-electron laser single-pulse Wollaston polarimeter for magneto-dynamical studies

Antonio Caretta, Simone Laterza, Valentina Bonanni, Rudi Sergo, Carlo Dri, Giuseppe Cautero, Fabio Galassi, Matteo Zamolo, Alberto Simoncig, Marco Zangrando, Alessandro Gessini, Simone Dal Zilio, Roberto Flammini, Paolo Moras, Alexander Demidovich, Miltcho Danailov, Fulvio Parmigiani, Marco Malvestuto

Struct. Dyn. 8, 034304 (2021)

https://doi.org/10.1063/4.0000104

Published: June 2021

View article titled, A novel free-electron laser single-pulse Wollaston polarimeter for magneto-dynamical studies

Journal Articles

The mechanisms of a bifunctional fluorescent probe for detecting fluoride and sulfite based on excited-state intramolecular proton transfer and intramolecular charge transfer

Xueli Jia, Yonggang Yang, Hongsheng Zhai, Qingqing Zhang, Yuanyuan He, Yang Liu, Yufang Liu

Struct. Dyn. 8, 034103 (2021)

https://doi.org/10.1063/4.0000095

Published: May 2021

View article titled, The mechanisms of a bifunctional fluorescent probe for detecting fluoride and sulfite based on excited-state intramolecular proton transfer and intramolecular charge transfer

Includes: Supplementary data

NARROW

Topics

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

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Transient heating of Pd nanoparticles studied by x-ray diffraction with time of arrival photon detection

Watching a signaling protein function: What has been learned over four decades of time-resolved studies of photoactive yellow protein

The Cambridge Structural Database and structural dynamics

High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: Signatures of attosecond charge migration

Theoretical study of time-resolved photoelectron circular dichroism in the photodissociation of a chiral molecule

A Δ-learning strategy for interpretation of spectroscopic observables

Electron population dynamics in resonant non-linear x-ray absorption in nickel at a free-electron laser

Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

In crystallo observation of active site dynamics and transient metal ion binding within DNA polymerases

Charge-induced chemical dynamics in glycine probed with time-resolved Auger electron spectroscopy

Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays

Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)

Low-temperature nanoscale heat transport in a gadolinium iron garnet heterostructure probed by ultrafast x-ray diffraction

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

Quasielastic neutron scattering study on proton dynamics assisted by water and ammonia molecules confined in MIL-53

Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations

A novel free-electron laser single-pulse Wollaston polarimeter for magneto-dynamical studies

The mechanisms of a bifunctional fluorescent probe for detecting fluoride and sulfite based on excited-state intramolecular proton transfer and intramolecular charge transfer

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only