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  • Currently displaying 5061 - 5080 of 30598 publications
Author(s)
Publication title
Journal Name
Publication year
Surface Chirality Influences Molecular Rotation upon Desorption.
SC Matysik, DJ Wales, SJ Jenkins
Physical Review Letters
(2021)
126
G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic
T Ingwersen, C Linnenberg, E D'Acunto, S Temori, I Paolucci, D Wasilewski, B Mohammadi, J Kirchmair, RC Glen, E Miranda, M Glatzel, G Galliciotti
Sci Rep
(2021)
11
Comparative study of single-atom gold and iridium on CeO2{111}.
CJ Owen, SJ Jenkins
The Journal of Chemical Physics
(2021)
154
Nature of Enhanced Brønsted Acidity Induced by Extraframework Aluminum in an Ultrastabilized Faujasite Zeolite: An In Situ NMR Study
B Mezari, PCMM Magusin, SMT Almutairi, EA Pidko, EJM Hensen
The Journal of Physical Chemistry C
(2021)
125
Reduced variance analysis of molecular dynamics simulations by linear combination of estimators
SW Coles, E Mangaud, D Frenkel, B Rotenberg
(2021)
Crystal structure prediction for benzene using basin-hopping global optimization
A Banerjee, D Jasrasaria, SP Niblett, DJ Wales
J Phys Chem A
(2021)
125
Porous Covalent Organic Nanotubes and Toroids: A Carbon Nanotube Analogue
R Banerjee, K Koner, S Karak, S Kandambeth, S Karak, N Thomas, L Leanza, C Perego, L Pesce, R Capelli, M Moun, M Bhakar, TG Ajithkumar, G Pavan
(2021)
Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis
D Gasperini, SE Neale, MF Mahon, SA Macgregor, RL Webster
ACS Catal
(2021)
11
Multi-task Bayesian Optimization of Chemical Reactions
K Felton, D Wigh, A Lapkin
(2021)
Antibody Affinity Governs the Inhibition of SARS-CoV‑2 Spike/ACE2 Binding in Patient Serum
S Fiedler, MA Piziorska, V Denninger, AS Morgunov, A Ilsley, AY Malik, MM Schneider, SRA Devenish, G Meisl, V Kosmoliaptsis, A Aguzzi, H Fiegler, TPJ Knowles
ACS infectious diseases
(2021)
7
Recognition with Macrocycles and Interlocked Systems
A Docker, PD Beer
(2021)
A biosensor to gauge protein homeostasis resilience differences in the nucleus compared to cytosol of mammalian cells
CB Raeburn, A Ormsby, NS Moily, D Cox, S Ebbinghaus, A Dickson, G McColl, DM Hatters
(2021)
Population control bias and importance sampling in full configuration interaction quantum Monte Carlo
K Ghanem, N Liebermann, A Alavi
Physical Review B
(2021)
103
Nuclear quantum effects in thermal conductivity from centroid molecular dynamics
BJ Sutherland, WHD Moore, DE Manolopoulos
(2021)
Orientation Analysis of Sum Frequency Generation Spectra of Di-chain Phospholipids: Effect of the Second Acyl Chain
AP Fellows, MTL Casford, PB Davies
Aip Advances
(2021)
11
Critical assessment of protein intrinsic disorder prediction.
M Necci, D Piovesan, CAID Predictors, DisProt Curators, SCE Tosatto
Nature Methods
(2021)
18
Cartooning the Data Champions at the University of Cambridge
C Castle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Host-Guest Induced Peptide Folding with Sequence-Specific Structural Chirality
DE Clarke, G Wu, C Wu, OA Scherman
J Am Chem Soc
(2021)
143
Hyperphosphorylated tau self-assembles into amorphous aggregates eliciting TLR4-dependent inflammatory responses
D Klenerman, J Meng, Y Zhang, D Saman, S De, J Sang, K Jiang, J Humphrey, L Julian, E Hidari, RA Floto, S Lee, C Bryant, J Benesch, Y Ye
(2021)
Correlated Particle Motion and THz Spectral Response of Supercritical Water
M Śmiechowsk, C Schran, H Forbert, D Marx
(2021)