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  • Currently displaying 4861 - 4880 of 30921 publications
Author(s)
Publication title
Journal Name
Publication year
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models
Z Sun, AT Archibald
Environmental Science and Ecotechnology
(2021)
8
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces
S Shepherd, J Lan, DM Wilkins, V Kapil
Journal of Physical Chemistry Letters
(2021)
12
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling
KY Chen, E Jenkins, M Körbel, A Ponjavic, AH Lippert, AM Santos, N Ashman, C O'Brien-Ball, J McBride, D Klenerman, SJ Davis
Proceedings of the National Academy of Sciences
(2021)
118
Fccvs.hcp competition in colloidal hard-sphere nucleation: On their relative stability, interfacial free energy and nucleation rate
I Sanchez-Burgos, E Sanz, C Vega, JR Espinosa
Physical chemistry chemical physics : PCCP
(2021)
23
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
(2021)
Defect-Dependent Corrugation in Graphene
FL Thiemann, P Rowe, A Zen, EA Müller, A Michaelides
Nano letters
(2021)
21
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use.
A Tanentzap, S Cottingham, J Fonvielle, I Riley, L Walker, S Woodman, D Kontou, C Pichler, E Reisner, L Lebreton
PLoS Biology
(2021)
19
Multicomponent alkene azidoarylation by anion-mediated dual catalysis.
A Bunescu, Y Abdelhamid, MJ Gaunt
Nature
(2021)
598
Deformable and robust core-shell protein microcapsules templated by liquid-liquid phase-separated microdroplets
Y Xu, Y Shen, TCT Michaels, KN Baumann, D Vigolo, Q Peter, Y Lu, KL Saar, D Vella, H Zhu, B Li, H Yang, APM Guttenplan, M Rodriguez‐Garcia, D Klenerman, TPJ Knowles
Advanced Materials Interfaces
(2021)
8
Dielectric control of reverse intersystem crossing in thermally-activated delayed fluorescence emitters
AJ Gillett, A Pershin, R Pandya, S Feldmann, AJ Sneyd, AM Alvertis, EW Evans, TH Thomas, L-S Cui, BH Drummond, GD Scholes, Y Olivier, A Rao, RH Friend, D Beljonne
(2021)
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities.
A Bassan, VM Alves, A Amberg, LT Anger, L Beilke, A Bender, A Bernal, MTD Cronin, J-H Hsieh, C Johnson, R Kemper, M Mumtaz, L Neilson, M Pavan, A Pointon, J Pletz, P Ruiz, DP Russo, Y Sabnis, R Sandhu, M Schaefer, L Stavitskaya, DT Szabo, J-P Valentin, D Woolley, C Zwickl, GJ Myatt
Comput Toxicol
(2021)
20
The binding of the small heat-shock protein αB-crystallin to fibrils of α-synuclein is driven by entropic forces
T Scheidt, JA Carozza, CC Kolbe, FA Aprile, O Tkachenko, MMJ Bellaiche, G Meisl, QAE Peter, TW Herling, S Ness, M Castellana-Cruz, JLP Benesch, M Vendruscolo, CM Dobson, P Arosio, TPJ Knowles
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment
MF Lensink, G Brysbaert, T Mauri, N Nadzirin, S Velankar, RAG Chaleil, T Clarence, PA Bates, R Kong, B Liu, G Yang, M Liu, H Shi, X Lu, S Chang, RS Roy, F Quadir, J Liu, J Cheng, A Antoniak, C Czaplewski, A Giełdoń, M Kogut, AG Lipska, A Liwo, EA Lubecka, M Maszota-Zieleniak, AK Sieradzan, R Ślusarz, PA Wesołowski, K Zięba, CA Del Carpio Muñoz, E Ichiishi, A Harmalkar, JJ Gray, AMJJ Bonvin, F Ambrosetti, R Vargas Honorato, Z Jandova, B Jiménez-García, PI Koukos, S Van Keulen, CW Van Noort, M Réau, J Roel-Touris, S Kotelnikov, D Padhorny, KA Porter, A Alekseenko, M Ignatov, I Desta, R Ashizawa, Z Sun, U Ghani, N Hashemi, S Vajda, D Kozakov, M Rosell, LA Rodríguez-Lumbreras, J Fernandez-Recio, A Karczynska, S Grudinin, Y Yan, H Li, P Lin, S-Y Huang, C Christoffer, G Terashi, J Verburgt, D Sarkar, T Aderinwale, X Wang, D Kihara, T Nakamura, Y Hanazono, R Gowthaman, JD Guest, R Yin, G Taherzadeh, BG Pierce, D Barradas-Bautista, Z Cao, L Cavallo, R Oliva, Y Sun, S Zhu, Y Shen, T Park, H Woo, J Yang, S Kwon, J Won, C Seok, Y Kiyota, S Kobayashi, Y Harada, M Takeda-Shitaka, PJ Kundrotas, A Singh, IA Vakser, J Dapkūnas, K Olechnovič, Č Venclovas, R Duan, L Qiu, X Xu, S Zhang, X Zou, SJ Wodak
Proteins
(2021)
89
Combating small-molecule aggregation with machine learning
K Lee, A Yang, Y-C Lin, D Reker, GJL Bernardes, T Rodrigues
Cell Reports Physical Science
(2021)
2
Ageing related states of complex network formation in areca nuts
KV Chinmaya, M Ghosh, S Ghosh
(2021)
A modular toolset for electrogenetics
JM Lawrence, Y Yin, P Bombelli, A Scarampi, M Storch, LT Wey, A Climent-Catala, PI team, GS Baldwin, D O’Hare, CJ Howe, JZ Zhang, TE Ouldridge, R Ledesma-Amaro
(2021)
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
DC Izuogu
(2021)
On the "Matsubara heating" of overtone intensities and Fermi splittings.
RL Benson, SC Althorpe
The Journal of Chemical Physics
(2021)
155
Mechanical adaptation of brachiopod shells via hydration-induced structural changes
J Ihli, AS Schenk, S Rosenfeldt, K Wakonig, M Holler, G Falini, L Pasquini, E Delacou, J Buckman, TS Glen, T Kress, EHR Tsai, DG Reid, MJ Duer, M Cusack, F Nudelman
Nat Commun
(2021)
12