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  • Currently displaying 3681 - 3700 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
An Empirical Model for Solvation Based on Surface Site Interaction Points
DP Reynolds, MC Storer, CA Hunter
Chem Sci
(2021)
12
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses.
F Geiger, J Acker, G Papa, X Wang, WE Arter, KL Saar, N Erkamp, R Qi, J Bravo, S Strauss, G Krainer, OR Burrone, R Jungmann, TPJ Knowles, H Engelke, A Borodavka
The EMBO Journal
(2021)
40
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces
S Shepherd, J Lan, DM Wilkins, V Kapil
The Journal of Physical Chemistry Letters
(2021)
12
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models
Z Sun, AT Archibald
Environ Sci Ecotechnol
(2021)
8
Fcc vs. 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
Phys Chem Chem Phys
(2021)
23
Photoredox-Catalyzed Dehydrogenative Csp3-Csp2 Cross-Coupling of Alkylarenes to Aldehydes in Flow.
OM Griffiths, HA Esteves, Y Chen, K Sowa, OS May, P Morse, DC Blakemore, SV Ley
The Journal of organic chemistry
(2021)
86
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
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 Biol
(2021)
19
Defect-Dependent Corrugation in Graphene
FL Thiemann, P Rowe, A Zen, EA Müller, A Michaelides
Nano Letters
(2021)
21
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
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
A Bunescu, Y Abdelhamid, MJ Gaunt
Nature
(2021)
598
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
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
Computational toxicology (Amsterdam, Netherlands)
(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
Proc Natl Acad Sci U S A
(2021)
118
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
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
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)
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
Nature communications
(2021)
12
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
DC Izuogu
(2021)