Topic · Physical and Theoretical Chemistry · Chemistry
OpenAlex topic; a paper is listed when OpenAlex scores it at least 0.5 for this topic.
4 papers
Katherine A. Legg, Giovanni González-Gutiérrez, Katherine A. Edmonds, Philip G. Shushkov, David P. Giedroc
The paper identifies alkyl CH···S hydrogen bonds as critical for molecular recognition of ergothioneine by the microbial transporter EgtUC.
Science Advances · Feb 20, 2026Peer-reviewedBiochemistry
Jiusheng Lin, Oksana O. Gerlits, Daniel W. Kneller, Kevin L. Weiss, Leighton Coates, Jennifer L. Clarke, Mark A. Hix, Solomon Yamoah Effah, Andrey Y. Kovalevsky, Alice R. Walker, Mark A. Wilson
This study uses neutron crystallography and simulations to analyze proton sharing in low-barrier hydrogen bonds in DJ-1 and YajL, showing how mutations affect proton delocalization and mobility.
Biochemistry · Feb 9, 2026Peer-reviewedBiochemistry
Ida de Vries, Georgia Tsiompanaki, Anastassis Perrakis A, Robbie P. Joosten
The paper analyzes halogen bonds in protein-ligand complexes using geometric parameters and introduces a score to assess their validity in structure models from PDB-REDO.
Protein Science · Oct 11, 2025Peer-reviewedBiochemistry
Aleksandra L. Ptaszek, Sarah E. Kratzwald, Filip Sagan, Mario Migotti, Pedro A. Sánchez‐Murcia, Robert Konrat, Gerald Platzer
The paper uses NMR and quantum mechanical calculations to analyze the streptavidin-biotin interaction, revealing the role of weak non-covalent interactions in its stability.
The Journal of Physical Chemistry B · May 13, 2025Peer-reviewedBiophysics