Results 31 to 40 of about 2,869 (126)

Radiation damage in sub‐Ångström resolution macromolecular crystallography: a low‐dose study

Acta Crystallographica Section D, Volume 82, Issue 5, Page 484-491, May 2026.
This first systematic radiation‐damage study at 0.55 Å resolution reveals extensive small conformational changes in response to dose. The findings demonstrate the benefits of using large crystals fully bathed in a large `top‐hat' beam with a uniform fluence profile, together with low‐dose data‐collection protocols, for sub‐Ångström structure ...
Gleb Bourenkov, Elham Paknia, Claus Flensburg, Rasmus Fogh, Peter Keller, Clemens Vonrhein, Gérard Bricogne, Ashwin Chari   +7 more
wiley   +1 more source

Structural Mechanism of an Efficacy Photoswitch Targeting the β2‐adrenergic Receptor

Angewandte Chemie International Edition, Volume 65, Issue 18, 27 April 2026.
Time‐resolved structures from x‐ray free‐electron laser measurements combined with cellular assays demonstrate how the photoswitchable β‐blocker photoazolol‐1 acts as an efficacy switch of β2‐adrenergic receptor function. Light‐induced ligand repositioning shifts activity from inverse agonism toward neutral antagonism by altering local helical ...
Robin Stipp, Quentin Bertrand, Matilde Trabuco, Anna Duran‐Corbera, Maria Tindara Ignazzitto, Hannah Glover, Fabienne Stierli, Juanlo Catena, Melissa Carrillo, Sina Hartmann, Hans‐Peter Seidel, Matthias Mulder, Thomas Mason, Yasushi Kondo, Maximillian Wranik, Martin Appleby, Christoph Sager, Raymond Sierra, Gregory Gate, Pamela Schleissner, Xinxin Cheng, Tobias Weinert, Robert Cheng, Sandra Mous, John H. Beale, Michal Kepa, Amadeu Llebaria, Michael Hennig, Xavier Rovira, Joerg Standfuss   +29 more
wiley   +1 more source

An output-sensitive algorithm for the minimization of 2-dimensional String Covers

, 2019
String covers are a powerful tool for analyzing the quasi-periodicity of 1-dimensional data and find applications in automata theory, computational biology, coding and the analysis of transactional data. A \emph{cover} of a string $T$ is a string $C$ for
A Apostolico, A Apostolico, A Bacciotti, A Katok, A Muchnik, A Tychonoff, A Wlodawer, AK Brodzik, AV Aho, DE Knuth, J Kopf, JR Searle, K Perlin, L Bursill, R Middlestead, RS Bird, S Havlin, WA Sethares   +17 more
core   +1 more source

Multiple Dimerization Modes in Thiocarboxylate Paddlewheel Complexes: A Comprehensive View of Energy Landscapes from DFT Calculations and Statistics

Chemistry – A European Journal, Volume 32, Issue 15, 22 April 2026.
Staggered, square, and heavily bent dimers occur in the five known solvatomorphs of paddlewheel (PW) complex [PtVO(SOCPh)4]. These and other structural motifs are well within energetic reach due to the shallow potential energy surface that guides dimerization and are included in a revised classification of available structural data on heterobimetallic ...
Olga Mironova, Giacomo Bellini, Alessio Nicolini, Andrea Cornia   +3 more
wiley   +1 more source

Crystal Structures, Raman Spectra, and Thermal Analysis of Cobalt(III) Ammine Coordination Compounds in the Context of Battery Materials

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 6, 07 April 2026.
A series of Co(III) ammine coordination compounds, which are potential precursors for battery materials, were synthesized and characterized by X‐ray diffraction, Raman spectroscopy, and thermal analysis. These methods provide complementary insight into structural motifs and decomposition behavior as well as an easy way to identify Co(III) complexes ...
Florian Gattnar, Horst Schmidt, Hagen Fiebig, Daniela Freyer, Gero Frisch   +4 more
wiley   +1 more source

Initiating Heavy-atom Based Phasing by Multi-Dimensional Molecular Replacement

, 2014
To obtain an electron-density map from a macromolecular crystal the phase-problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitantly the determination of the heavy atom substructure.
Gourdon, Pontus, Karlsen, Jesper Lykkegaard, Liu, Xiangyu, Nissen, Poul, Pedersen, Bjørn Panyella   +4 more
core   +1 more source

Detector alignment for X‐ray crystallography using Millepede‐II

Journal of Applied Crystallography, Volume 59, Issue 2, Page 594-608, April 2026.
A computational method for refinement of multi‐panel detector geometry has been adapted from high‐energy physics to serial crystallography. The method is many times faster and much more accurate than previous approaches.I describe a method for accurately refining the geometrical parameters of segmented X‐ray area detectors on the basis of serial ...
Thomas A. White
wiley   +1 more source

Structures of pentatricopeptide repeat proteins

Acta Crystallographica Section F, Volume 82, Issue 4, Page 101-113, April 2026.
A number of crystal, cryo‐EM and solution structures of pentatricopeptide repeat proteins have been solved, revealing details of how they interact with single‐stranded RNA and other proteins, as well as their conformational repertoire.Pentatricopeptide repeat (PPR) proteins constitute the largest family of RNA‐binding proteins in land plants, playing ...
Anuradha Pullakhandam, Crystal Cooper, Ian D. Small, Charles S. Bond   +3 more
wiley   +1 more source

Artificial intelligence streamlines scientific discovery of drug–target interactions

British Journal of Pharmacology, Volume 183, Issue 8, Page 1673-1690, April 2026.
Abstract Drug discovery is a complicated process through which new therapeutics are identified to prevent and treat specific diseases. Identification of drug–target interactions (DTIs) stands as a pivotal aspect within the realm of drug discovery and development. The traditional process of drug discovery, especially identification of DTIs, is marked by
Yuxin Yang, Feixiong Cheng
wiley   +1 more source

Aligned SICs and embedded tight frames in even dimensions

, 2019
Alignment is a geometric relation between pairs of Weyl-Heisenberg SICs, one in dimension $d$ and another in dimension $d(d-2)$, manifesting a well-founded conjecture about a number-theoretical connection between the SICs. In this paper, we prove that if
Andersson, Ole, Dumitru, Irina
core   +1 more source