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- Currently displaying 1 - 20 of 31588 publications
Design and synthesis of bioactive molecules
Beilstein Journal of Organic Chemistry
(2026)
22
1382
(doi: 10.3762/bjoc.22.112)
How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene
(2026)
Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, KxMn8O16 (x ~ 1.45)
Chemistry of Materials
(2026)
Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separation
Nature Communications
(2026)
17
10532
(doi: 10.1038/s41467-026-78050-6)
One adaptor, multiple outcomes: decoding TRIFosome heterogeneity.
Biochemical Society Transactions
(2026)
54
1387
(doi: 10.1042/BST20260704)
Unconventional Superconductivity from Lattice Quantum Disorder
Physical Review Letters
(2026)
137
146001
(doi: 10.1103/r8fj-4t94)
Protein rheostasis: quality control in metastable proteomes.
Philosophical Transactions of the Royal Society B Biological Sciences
(2026)
381
20250279
(doi: 10.1098/rstb.2025.0279)
Ring Currents in Open-Shell Condensed Benzenoid Homologues of Some Extended Clar’s Goblets
The Journal of Physical Chemistry A
(2026)
(doi: 10.1021/acs.jpca.6c04818)
Binding without Docking: Small-Molecule Binding Paths on Disordered Proteins
Journal of the American Chemical Society
(2026)
(doi: 10.1021/jacs.6c05891)
One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades
Angewandte Chemie
(2026)
e5220236
(doi: 10.1002/ange.5220236)
Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26
(2026)
One-Pot Biphasic Photocatalytic CO2-to-Carbonylation Cascades.
Angewandte Chemie International Edition
(2026)
e5220236
(doi: 10.1002/anie.5220236)
Charge-driven remodelling of monomeric Tau determines its phase behaviour
(2026)
(doi: 10.64898/2026.09.21.752903)
PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators
(2026)
(doi: 10.64898/2026.09.18.752684)
Extracellular manganese as a redox mediator and matrix binder in cyanobacterial photoelectrochemistry.
Bioelectrochemistry
(2026)
174
109466
An additive reference correction scheme for the transcorrelated method.
J Chem Phys
(2026)
165
121101
(doi: 10.1063/5.0349731)
Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)
(2026)
(doi: 10.48550/arxiv.2208.12197)
Revisiting Jahn-Teller transitions in correlated oxides with Monte Carlo modeling
Physical Review B
(2026)
114
134106
(doi: 10.1103/chbx-wzvl)