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  • Currently displaying 61 - 80 of 30706 publications
Author(s)
Publication title
Journal Name
Publication year
How reproducible are first-principles simulations of liquid water?
N ONeill, BX Shi, WJ Baldwin, AP Bartok, CJ Pickard, A Michaelides, G Csanyi, TC Berkelbach
(2026)
Prediction of antibody non-specificity using protein language models and biophysical parameters
LI Sakhnini, L Beltrame, S Fulle, P Sormanni, A Henriksen, N Lorenzen, M Vendruscolo, D Granata
mAbs
(2026)
18
Unravelling key phenomena in ball milling reactions toward fundamental principles-a minireview tutorial
AM Belenguer
Physical chemistry chemical physics : PCCP
(2026)
28
Phosphorylation tunes strain-specific protein condensation during rotavirus replication organelle assembly
J Acker, X Wang, AJ Pardal, D Desirò, T Agarwal, A Colyer, A Tollervey, R Scrutton, C Haller, L Sherry, KL Saar, K Fominykh, MLLY Johncock, SH Chong, R Murray, J Terry, JD Schmit, AN Calabrese, TPJ Knowles, A Borodavka
The EMBO journal
(2026)
45
Enhancing Superexchange through Frontier Orbital Engineering in a van der Waals Metal–Organic Magnet
J Pitcairn, MAT Ongkiko, PJ Speakman, JP Tidey, JW Jordan, GN Newton, P Manuel, JR Stewart, AJ Morris, MJ Cliffe
Chemistry of Materials
(2026)
38
Oppositely-charged coordination cages form a type I porous ionic liquid with two pore sizes.
S Adorinni, HP Ryan, L Ma, TK Ronson, S Gaikwad, B Rossi, L Nasi, JR Nitschke, S Marchesan
Mater Horiz
(2026)
13
Effects of PTMs on Tau Protein Aggregation: Insights from HCG and Atomistic MD Simulations
A Louet, J Stuke, L Pietrek, M Vendruscolo, G Hummer
(2026)
Extracellular electron transfer by the cultured coral photosymbiont Symbiodinium microadriaticum
L Marcel, JT Simon, JM Lawrence, S Menkin, AC Barbrook, RER Nisbet, CJ Howe, JZ Zhang
Photosynthesis research
(2026)
164
Does the sequence of a disordered protein encode small molecule binding paths?
A Louet, G Hummer, M Vendruscolo
(2026)
Accelerating point-defect simulations using data-driven and machine learning approaches
A Mannodi-Kanakkithodi, M Huang, P Gorai, SR Kavanagh
MRS Bulletin
(2026)
51
Coulombic control of charge transfer in radicals with quartet recycling luminescence.
L Matasovic, P Murto, S Yu, W Wang, JD Green, G Londi, W Zeng, L Brown, WK Myers, L van Turnhout, K Armadorou, A Bhanja, S Petrusca, D Beljonne, Y Olivier, F Li, H Bronstein, TJH Hele, RH Friend, S Gorgon
Nature communications
(2026)
London Dispersion Governs Stereochemistry, Stability, and Self-Sorting in a System of M4L4 Cages
I Massad, JTF Dobson, PCP Teeuwen, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2026)
148
Evolution of Charge and Orbital Ordering, and Cation Vacancy Ordering During Electrochemical Desodiation of Na x NiO2
JMA Steele, JD Bocarsly, LAV Nagle-Cocco, GS Phillips, FN Sayed, GI Lampronti, F Orlandi, P Manuel, I Mikulska, CP Grey, SE Dutton
Journal of the American Chemical Society
(2026)
148
Solar reforming of plastics using acid-catalyzed depolymerization
PK Kwarteng, Y Liu, C Han, SA Bonke, DM Vahey, C Pulignani, E Reisner
Joule
(2026)
10
Metallic 1T NaxMoS2 as Sulfur Host for Room Temperature Na–S Batteries
EL Gray, J-I Lee, AE Beardmore, L Loh, ZJ Yang, Y Wang, M Chhowalla
ACS Nano
(2026)
20
Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide
J Jaafar, Y Fan, M Kazemzadeh-Atoufi, R Mizuta, J Yang, JEN Swallow, E Jones, M Van Spronsen, G Held, RS Weatherup, P Voorhees, DJ Wales, G Csanyi, S Hofmann
Journal of the American Chemical Society
(2026)
148
Future volcanic eruptions may delay the recovery of lower stratospheric ozone over Antarctica and Southern Hemisphere mid-latitudes
MM Chim, NL Abraham, TJ Aubry, B Johnson, H Garny, S Solomon, A Schmidt
Atmospheric Chemistry and Physics
(2026)
26
Toward Solar-Powered Growth of Autotrophic Escherichia coli Using Photoelectrochemistry.
L Su, CWS Yeung, E Milshtein, BQL Low, Y Liu, R Milo, E Reisner
J Am Chem Soc
(2026)
148
Spatially tunable multiomic sequencing using light-driven combinatorial barcoding of molecules in tissues.
G Battistoni, S Torres-Garcia, CY Sia, S Corriero, C Boquetale, E Williams, A Cregeen, K Wasilewska, M Alini, N Hemmer, IMAXT Cancer Grand Challenge Consortium, S Balasubramanian, BC Nicholson, GJ Hannon, D Bressan
Proc Natl Acad Sci U S A
(2026)
123
Actively Induced Supercoiling Can Slow Down Plasmid Solutions by Trapping the Threading Entanglements.
R Staňo, R Rusková, D Račko, J Smrek
ACS nano
(2026)
20