Results 261 to 270 of about 112,215 (282)

Role of the transmembrane domain in severe acute respiratory syndrome (SARS) coronavirus 2 spike for palmitoylation and membrane fusion

open access: yesProtein Science, Volume 35, Issue 2, February 2026.
Abstract Palmitoylation is a reversible post‐translational modification that enhances protein hydrophobicity and regulates cellular functions such as trafficking and signaling. In humans, this modification is catalyzed by 23 DHHC enzymes, but the mechanisms by which they recognize their substrates remain unclear.
Dina A. Abdulrahman, Michael Veit
wiley   +1 more source

On Multilevel Energy‐Based Fragmentation Methods

open access: yesInternational Journal of Quantum Chemistry, Volume 126, Issue 3, January 30, 2026.
We investigate the working equations of energy‐based fragmentation methods and present ML‐SUPANOVA, a Möbius‐inversion‐based multilevel fragmentation scheme that enables adaptive, quasi‐optimal truncations to efficiently approximate Born‐Oppenheimer potentials across hierarchies of electronic‐structure methods and basis sets.
James Barker   +2 more
wiley   +1 more source

Simultaneous Grafting of 3,4,5‐Trihydroxypiperidine Iminosugars Onto Multivalent Scaffolds via Double Reductive Amination Provides New GCase Inhibitors

open access: yesChemistry – A European Journal, Volume 32, Issue 2, 9 January 2026.
A small set of low‐valency multivalent 3,4,5‐trihydroxypiperidines was prepared through double reductive amination (DRA) of a sugar‐derived dialdehyde. Among them, trivalent derivative 37 emerged as a potent β‐glucocerebrosidase (GCase) inhibitor displaying an unexpected mixed‐type kinetic profile. The integration of kinetic analysis, NMR, docking, and
Maria Giulia Davighi   +10 more
wiley   +1 more source

Improving Energy and Molecular Properties by Convergence of the One‐Particle Reduced Density Matrix in Variational Quantum Eigensolvers (VQE)

open access: yesJournal of Computational Chemistry, Volume 47, Issue 1, 05 January 2026.
Two new strategies that include the convergence of the one‐particle reduced density matrix (1‐RDM) were introduced in Variational Quantum Eigensolvers (VQE). Improved energy and, most importantly, density‐based properties (dipole moments, electron density) were obtained.
Amanda Marques de Lima   +3 more
wiley   +1 more source

Photosynthesis under far‐red light—evolutionary adaptations and bioengineering of light‐harvesting complexes

open access: yesFEBS Letters, Volume 600, Issue 2, Page 164-187, January 2026.
Phototrophs evolved light‐harvesting systems adapted for efficient photon capture in habitats enriched in far‐red radiation. A subset of eukaryotic pigment‐binding proteins can absorb far‐red photons via low‐energy chlorophyll states known as red forms.
Antonello Amelii   +8 more
wiley   +1 more source

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