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  • Currently displaying 1 - 20 of 31566 publications
Author(s)
Publication title
Journal Name
Publication year
Understanding Transition Metal Chemistry
S Boss, P Barker, J Field, A Peel
(2026)
How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene
XR Advincula, Y Litman, J Shi, FD Pia, C Schran, A Michaelides
(2026)
Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, KxMn8O16 (x ~ 1.45)
LAV Nagle-Cocco, JD Bocarsly, K Sada, ND Kelly, MA Kiefer, E Suard, SJ Day, C Liu, CP Grey, P Barpanda, C Ritter, SE Dutton
Chemistry of Materials
(2026)
An extragenic fix for a broken enzyme.
V Mohan, E Labrini, CS Aksoy, V Behrends, LC Evangelista, DR Spring, M Welch
Microbiology (United Kingdom)
(2026)
172
Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separation
K Russell, Y Chen, JR Espinosa, D Farré-Gil, H Zhou, MJ Maristany, JI Perez-Lopez, J Huertas, M Orozco, MK Rosen, R Collepardo-Guevara
Nature Communications
(2026)
17
One adaptor, multiple outcomes: decoding TRIFosome heterogeneity.
P Suresh, YP Zhang, C Bryant, D Klenerman
Biochem Soc Trans
(2026)
54
Protein rheostasis: quality control in metastable proteomes.
M Vendruscolo
Philosophical Transactions of the Royal Society B Biological Sciences
(2026)
381
Ring Currents in Open-Shell Condensed Benzenoid Homologues of Some Extended Clar’s Goblets
TK Dickens, RB Mallion
The Journal of Physical Chemistry A
(2026)
Binding without Docking: Small-Molecule Binding Paths on Disordered Proteins
A Louet, G Hummer, M Vendruscolo
Journal of the American Chemical Society
(2026)
One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades
S Mitra, DM Vahey, SA Bonke, E Reisner
Angewandte Chemie
(2026)
Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26
A Peuch, G Kler-Young, K Niu, J Hwang, M Mavrikakis, A Michaelides, F Berger
(2026)
One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades
S Mitra, DM Vahey, SA Bonke, E Reisner
Angewandte Chemie International Edition
(2026)
PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators
J Oller-Iscar, AR Tejedor, A Feito, M Velasco-Estevez, A Ocaña, R Collepardo-Guevara, JR Espinosa
(2026)
Extracellular manganese as a redox mediator and matrix binder in cyanobacterial photoelectrochemistry.
EI Wroe, LA Milburn, M Ghamsari, L Marcel, J Wilson, S Nir, J Zhang
Bioelectrochemistry
(2026)
174
Charge-driven remodelling of monomeric Tau determines its phase behaviour
Y Oktaviandie, Z Han, K Stott, TPJ Knowles
(2026)
In Situ and Operando Neutron Powder Diffraction of Na x NiO 2 : A Case Study for Sodium-Ion Batteries
JMA Steele, G Pérez, FN Sayed, L Nagle-Cocco, C Tacconis, AM Lencioni, I Scheer, SE Dutton, CP Grey
Journal of The Electrochemical Society
(2026)
An additive reference correction scheme for the transcorrelated method.
J Hauskrecht, K Simula, Y Cheng, EMC Christlmaier, D Kats, A Alavi
The Journal of Chemical Physics
(2026)
165
Revisiting Jahn-Teller transitions in correlated oxides with Monte Carlo modeling
C Grey, S Dutton
Physical Review B
(2026)
114
Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)
LAV Nagle-Cocco, JD Bocarsly, K Sada, ND Kelly, MA Kiefer, E Suard, SJ Day, C Liu, CP Grey, P Barpanda, C Ritter, SE Dutton
(2026)
Single-Atom O/S/Se Substitution at the Glycosidic Linkage in Glycopeptide Cancer Vaccines Reveals Divergent Performance
C Bretón, A Guerreiro, P Oroz, N Osés, I Ginés-Alcober, FJ Cañada, R Hurtado-Guerrero, JL Asensio, JM Peregrina, GJL Bernardes, F Corzana
Angewandte Chemie International Edition
(2026)