Results 191 to 200 of about 224,062 (299)

Empowering learning in crystallography: launch of the <i>Education and outreach</i> section in <i>Acta Crystallographica</i> Section E. [PDF]

Acta Crystallogr E Crystallogr Commun
Zheng SL, Parkin S.
europepmc   +1 more source

Raw data: the evolution of FAIR data and crystallography.

, 2022
Henry S. Rzepa
openalex   +1 more source

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

Some Like It Hot –Structural Changes in Extremophile Rubredoxin at 120 °C

Angewandte Chemie, EarlyView.
We reveal the high temperature crystal structure of a hyperthermophilic (Pyrococcus furiosus) rubredoxin at 393 K (120 °C), together with multiple complementary structures down to 100 K. The results are compared with molecular dynamics calculations. Significant changes in H‐bonding are observed.
Tzanko Doukov, Igor Leontyev, Francis E. Jenney Jr., Dominic George, Stephen P. Cramer   +4 more
wiley   +2 more sources

3P036 Ligand-protein interaction studied by computer simulation and time-resolved x-ray crystallography(Protein: Structure & Function,The 48th Annual Meeting of the Biophysical Society of Japan)

, 2010
Takayuki Tsuduki, Ayana Tomita, Shin‐ya Koshihara, Shin‐ichi Adachi, Takahisa Yamato   +4 more
openalex   +2 more sources

Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos

Angewandte Chemie, EarlyView.
We report a new chiral phosphine ligand, sRuPhos, which permits the highly enantioselective Suzuki–Miyaura coupling of ortho‐aniline and ortho‐phenol building blocks. This results in 2‐amino‐2′‐hydroxybiphenyls with very high enantiomeric excesses, products that will have application in pharmaceutical synthesis and ligand design for catalysis ...
Hamzah Sharif, Luke A. McCall, Matthew G. Sanders, Robert J. Phipps   +3 more
wiley   +2 more sources

AutoLEI: A step towards automatic 3D ED data processing. [PDF]

IUCrJ
Wu S, Ma Y.
europepmc   +1 more source

MxDC & MxLIVE:Software for Macromolecular Crystallography Experiments at the CLS [PDF]

, 2014
Kathryn Janzen, Michel Fodje, Shaun Labiuk, James Gorin, Paweł Grochulski   +4 more
openalex   +1 more source

(Poly)Borylated Species as Modern Reactive Groups toward Unusual Synthetic Applications

Angewandte Chemie, EarlyView.
In this review, we spotlight recent breakthroughs in α‐polyboron‐substituted carbon‐centered intermediates (carbanion, carbocation, radical, and carbene) and polyborylated alkenes. By bridging fundamental reactivity with the application potential of these extraordinary species, we hope this review will serve as a roadmap for harnessing these unique ...
Nadim Eghbarieh, Nicole Hanania, Pinaki Nad, Tipu Alam, Tamir Kish, Ahmad Masarwa   +5 more
wiley   +2 more sources

Enzymatic, LC-MS/MS, crystallography and SAXS data of AKR1B1

, 2019
Albert Castellví, Isidro Crespo, Eva Crosas, A. Cámara-Artigas, Víctor Sebastián, Miguel Á. G. Aranda, Xavier Parés, Jaume Farrés, Judith Juanhuix   +8 more
openalex   +2 more sources