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  • Currently displaying 4981 - 5000 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid.
TK Dickens, RB Mallion
J Org Chem
(2021)
86
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
M Thomas, A Boardman, M Garcia-Ortegon, H Yang, C de Graaf, A Bender
Methods Mol Biol
(2021)
2390
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris
(2021)
Protein conformational transitions explored by a morphing approach based on normal mode analysis in internal coordinates
BH Lee, SW Park, S Jo, MK Kim
PLoS One
(2021)
16
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
DP Kovács, CVD Oord, J Kucera, AEA Allen, DJ Cole, C Ortner, G Csányi
Journal of chemical theory and computation
(2021)
17
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
C Haggard, VG Sadhasivam, G Trenins, SC Althorpe
The Journal of Chemical Physics
(2021)
155
A Platform for Site-Specific DNA-Antibody Bioconjugation by Using Benzoylacrylic-Labelled Oligonucleotides
J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes
Angewandte Chemie (International ed. in English)
(2021)
60
On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials
CG Staacke, HH Heenen, C Scheurer, G Csányi, K Reuter, JT Margraf
ACS Applied Energy Materials
(2021)
4
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes
Angewandte Chemie
(2021)
133
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential.
A Banerjee, DJ Wales
Journal of Physics: Condensed Matter
(2021)
34
Vitamin A and vitamin E metabolites comodulate amyloid-β aggregation
P Joshi, S Chia, X Yang, M Perni, J Habchi, M Vendruscolo
(2021)
Performance modeling of unmanaged hybrid battery/supercapacitor energy storage systems
MA Zabara, CB Uzundal, B Ülgüt
Journal of Energy Storage
(2021)
43
Surface-Catalyzed Secondary Nucleation Dominates the Generation of Toxic IAPP Aggregates.
DC Rodriguez Camargo, S Chia, J Menzies, B Mannini, G Meisl, M Lundqvist, C Pohl, K Bernfur, V Lattanzi, J Habchi, SI Cohen, TPJ Knowles, M Vendruscolo, S Linse
Front Mol Biosci
(2021)
8
In-situ monitoring of photocatalytic reactions in optofluidic microreactors
T Lawson
(2021)
Atomic surface control of Ge(100) in MOCVD reactors coated with (Ga)As residuals
A Paszuk, O Supplie, S Brückner, E Barrigón, MM May, M Nandy, A Gieß, A Dobrich, P Kleinschmidt, I Rey-Stolle, T Hannappel
Applied Surface Science
(2021)
565
A biophotoelectrochemical approach to unravelling the role of cyanobacterial cell structures in exoelectrogenesis
LT Wey, JM Lawrence, X Chen, R Clark, DJ Lea-Smith, JZ Zhang, CJ Howe
Electrochimica Acta
(2021)
395
Mechanistically driven identification of novel structural alerts for mitochondrial toxicity
C Gong, KR Przybylak, JM Goodman
Computational Toxicology
(2021)
20
Effects of system complexity on protein aggregation in neurodegeneration
M Sanguanini
(2021)
In vivo rate-determining steps of tau seed accumulation in Alzheimer's disease.
G Meisl, E Hidari, K Allinson, T Rittman, SL DeVos, JS Sanchez, CK Xu, KE Duff, KA Johnson, JB Rowe, BT Hyman, TPJ Knowles, D Klenerman
Science advances
(2021)
7
Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation
S Montanaro, P Pander, M Elsegood, S Teat, A Bond, I Wright, D Congrave, M Etherington
(2021)