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  • Currently displaying 4381 - 4400 of 31566 publications
Author(s)
Publication title
Journal Name
Publication year
Multilayer atomic cluster expansion for semi-local interactions
A Bochkarev, Y Lysogorskiy, C Ortner, G Csányi, R Drautz
(2022)
Enhancing the Energy Storage Performances of Metal-Organic Frameworks by Controlling Microstructure
JW Gittins, CJ Balhatchet, SM Fairclough, AC Forse
(2022)
An aggregation inhibitor specific to oligomeric intermediates of Aβ42 derived from phage display libraries of stable, small proteins
S Linse, P Sormanni, DJ O'Connell
Proc Natl Acad Sci U S A
(2022)
119
Multilayer atomic cluster expansion for semi-local interactions
A Bochkarev, Y Lysogorskiy, C Ortner, G Csányi, R Drautz
(2022)
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory.
Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi
The Journal of Chemical Physics
(2022)
156
The Other Pandemic: Social Media Engagement Around Non-Communicable Disease Preventive Behaviours During Nigeria’s COVID-19 Lockdowns
ERI Mogo, T Lawanson, R Unuigboje, Y Chetty, V Onifade, D Odekunle, T Ogunro, N Blanche, R Alani, L Foley, C Mapa-Tassou, F Assah, O Popoola, C Peter, T Oni
Cities & Health
(2022)
7
Hyperphosphorylated tau self-assembles into amorphous aggregates eliciting TLR4-dependent responses
JX Meng, Y Zhang, D Saman, AM Haider, S De, JC Sang, K Brown, K Jiang, J Humphrey, L Julian, E Hidari, SF Lee, G Balmus, RA Floto, C Bryant, JLP Benesch, Y Ye, D Klenerman
Nature Communications
(2022)
13
Protein painting reveals pervasive remodeling of conserved proteostasis machinery in response to pharmacological stimuli
D Cox, AR Ormsby, GE Reid, DM Hatters
(2022)
Adsorption of acetamide on crystalline and amorphous ice under atmospheric conditions. A grand canonical Monte Carlo simulation study
M Balbisi, RA Horváth, M Szőri, P Jedlovszky
Journal of Molecular Liquids
(2022)
354
Computer simulation investigation of the adsorption of acetamide on low density amorphous ice. An astrochemical perspective
M Balbisi, RA Horváth, M Szőri, P Jedlovszky
J Chem Phys
(2022)
156
Magnetic order in a metal thiocyanate perovskite analogue
M Cliffe, O Fabelo, L Cañadillas Delgado
(2022)
Chiral self-assembly of cellulose nanocrystals is driven by crystallite bundles
TG Parton, RM Parker, GT van de Kerkhof, A Narkevicius, JS Haataja, B Frka-Petesic, S Vignolini
Nat Commun
(2022)
13
Fast slow folding of an outer membrane porin
EE Weatherill, MA Fahie, DP Marshall, RA Andvig, MR Cheetham, M Chen, MI Wallace
Proc Natl Acad Sci U S A
(2022)
119
Novel Method for Monitoring the Electrochemical Capacitance by In Situ Impedance Spectroscopy as Indicator for Particle Cracking of Nickel-Rich NCMs: Part III. Development of a Simplified Measurement Setup
S Oswald, F Riewald, HA Gasteiger
Journal of the Electrochemical Society
(2022)
169
A prebiotically plausible scenario of an RNA-peptide world.
F Müller, L Escobar, F Xu, E Węgrzyn, M Nainytė, T Amatov, C-Y Chan, A Pichler, T Carell
Nature
(2022)
605
Ab Initio Wavefunction Analysis of Electron Removal Quasi-Particle State of NdNiO2 With Fully Correlated Quantum Chemical Methods
VM Katukuri, NA Bogdanov, A Alavi
Frontiers in Physics
(2022)
10
Δ-Quantum machine-learning for medicinal chemistry.
K Atz, C Isert, MNA Böcker, J Jiménez-Luna, G Schneider
Phys Chem Chem Phys
(2022)
24
A Combined Machine Learning and High-Energy X-ray Diffraction Approach to Understanding Liquid and Amorphous Metal Oxides
G Sivaraman, G Csanyi, A Vazquez-Mayagoitia, IT Foster, SK Wilke, R Weber, CJ Benmore
Journal of the Physical Society of Japan
(2022)
91
Biophysical characterization as a tool to predict amyloidogenic and toxic properties of amyloid‐β42 peptides
A Shobo, A Röntgen, MA Hancock, G Multhaup
FEBS Lett
(2022)
596
On-Resin Recognition of Aromatic Oligopeptides and Proteins through Host-Enhanced Heterodimerization.
O Scherman, J McCune, X Chen, Z Huang, K Sokolowski, R Sala Lang, A McLean, G Wu, K King
J Am Chem Soc
(2022)
144