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  • Currently displaying 361 - 380 of 30302 publications
Author(s)
Publication title
Journal Name
Publication year
Visualising the Energy Landscape for a Molecular Dynamics Trajectory
V Neuman, P WesoĊ‚owski, K Bojarski, D Dewan, M Schäffler, P Smardz, D Wales
(2025)
Neurodegeneration emerges at a cellular tipping point between aggregate accumulation and removal.
MW Cotton, S Venkatesan, JS Beckwith, D Böken, CK Xu, E Fertan, JC Breiter, LE Berkowicz, LS Salazar, A Von Schulze, EA Andrzejewska, EE Brock, HL Han, MM Schneider, DD Sahtoe, D Baker, JB Rowe, A Goriely, WA McEwan, TPJ Knowles, SF Lee, R Halfmann, D Klenerman, G Meisl
(2025)
Kinetics of seeded protein aggregation: theory and application
AJ Dear, G Meisl, J Hu, TPJ Knowles, S Linse
(2025)
Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models
H Poudel, PH Shaon, DJ Wales, DM Leitner
Phys Chem Chem Phys
(2025)
27
Droplet-based microfluidics uncovers hidden kinetic pathways of protein condensates: divergent routes to amyloids and amorphous aggregates.
J Kawakami, T Ozawa, Y Maruyama, H Ishikawa, K Yamauchi, K Kobayashi, S Kajimoto, T Nakabayashi, S Tomita, T Agarwal, T Sneideris, K Nakajima, K Shiraki, H Taguchi, A Hibara, T Knowles, E Chatani, Y Mizuno, Y Ohhashi, M Fukuyama
(2025)
Reply to: On anisotropy in cubic Cu2O photoelectrodes
L Pan, L Dai, OJ Burton, L Chen, V Andrei, Y Zhang, D Ren, J Cheng, L Wu, K Frohna, A Abfalterer, TC-J Yang, W Niu, M Xia, S Hofmann, PJ Dyson, E Reisner, H Sirringhaus, J Luo, A Hagfeldt, M Grätzel, SD Stranks
Nature
(2025)
646
Determination of nucleotide-nucleotide and nucleotide-amino acid binding interactions from all-atom potential-of-mean-force calculations
A Feito, E Pedraza, E Cuesta, A Castro, I Sanchez-Burgos, A Rey, R Collepardo-Guevara, AR Tejedor, JR Espinosa
(2025)
Structural Phase Transitions and Magnetic Characterization of Ba<sub>2</sub>GdNbO<sub>6</sub> for Low-Temperature Magnetocaloric Refrigeration.
F Berardi, LAV Nagle-Cocco, JMA Steele, X Zhang, C Liu, HE Fischer, SE Dutton
Chemistry of materials : a publication of the American Chemical Society
(2025)
37
BLOSUM Is All You Learn Generative Antibody Models Reflect Evolutionary Priors
T Uçar, P Sormanni
(2025)
A Mathematical Model of Cellular Aggregation Predicts Patterns of Tau Accumulation in Neurodegenerative Disease
S-H Huang, A Quaegebeur, T Pansuwan, T Rittman, R Wang, TP Knowles, JB Rowe, D Klenerman, G Meisl
Adv Sci (Weinh)
(2025)
13
Electrochemical Structural Evolution of NaxNiO2 Cathodes for Sodium-ion Batteries
J Steele
(2025)
Tuning the morphology of aerosolised cellulose nanocrystal particulates via controlled aggregation.
D Warnes, W Xu, JH Lim, RM Parker, B Frka-Petesic, R Freshwater, C Honorato-Rios, Y Ogawa, C Giorio, S Vignolini
Carbohydrate Polymers
(2025)
373
Effects of different emission inventories on tropospheric ozone and methane lifetime
C Acquah, L Stecher, M Mertens, P Jöckel
Atmospheric Chemistry and Physics
(2025)
25
Supplementary material to "Determining the key sources of uncertainty in dimethyl sulfide and methanethiol oxidation under tropical, temperate, and polar marine conditions"
LSD Jacob, BEH Harvey, C Giorio, AT Archibald
(2025)
Determining the key sources of uncertainty in dimethyl sulfide and methanethiol oxidation under tropical, temperate, and polar marine conditions
LSD Jacob, BEH Harvey, C Giorio, AT Archibald
(2025)
Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins.
M Schäffler, DJ Wales, B Strodel
J Phys Chem B
(2025)
129
Escherichia coli with a 57-codon genetic code
WE Robertson, FBH Rehm, M Spinck, RL Schumann, R Tian, W Liu, Y Gu, AA Kleefeldt, CF Day, KC Liu, Y Christova, JF Zürcher, FL Böge, J Birnbaum, L van Bijsterveldt, JW Chin
Science
(2025)
390
YTHDC1 inhibition as a therapeutic strategy with potent preclinical activity alone and in combination with BCL-2 inhibitors
RC Centore, M Charles, M Arora, M Rebmann, J Cattin, A Howarth, N Bharatham, M Rawling, P Radhakrishnan, S Qamar, M Watson, L Andraghetti, A Seeber, S Cohen, M Kulander, T Knowles, S Arora
Molecular Cancer Therapeutics
(2025)
24
How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets
D Kuryla, F Berger, G Csányi, A Michaelides
(2025)
Study of Particle Size Distribution Effects in Battery Electrodes Using Monodisperse NMC Cathode Particles
HJ Tan, CP Grey, M De Volder
Journal of The Electrochemical Society
(2025)
172