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Showing 1–4 of 4 results

Advanced filters: Author: Leif Jacobson Clear advanced filters

A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study

Crystal polymorphism plays an important role in pharmaceuticals, agrisciences and other industries. Here the authors present an efficient and accurate crystal structure prediction method with large scale validation and blind test.

Dong Zhou
Imanuel Bier
Lingle Wang
ResearchOpen Access05 Mar 2025
Nature Communications

Volume: 16, P: 1-15
Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography

Photoinduced electron transfer forms the basis for photosynthesis and DNA repair. Ultrafast structural changes recorded for a DNA-repairing photolyase now reveal specific and directed protein motions accompanying the electron transfer.

Andrea Cellini
Madan Kumar Shankar
Sebastian Westenhoff
ResearchOpen Access15 Jan 2024
Nature Chemistry

Volume: 16, P: 624-632
Widespread and increasing near-bottom hypoxia in the coastal ocean off the United States Pacific Northwest

John A. Barth
Stephen D. Pierce
Victor Simon
ResearchOpen Access15 Feb 2024
Scientific Reports

Volume: 14, P: 1-11
Development of scalable and generalizable machine learned force field for polymers

Shaswat Mohanty
James Stevenson
Mohammad Atif Faiz Afzal
ResearchOpen Access11 Oct 2023
Scientific Reports

Volume: 13, P: 1-15