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  • Currently displaying 4621 - 4640 of 30598 publications
Author(s)
Publication title
Journal Name
Publication year
Submersed micropatterned structures control active nematic flow, topology, and concentration
K Thijssen, DA Khaladj, SA Aghvami, MA Gharbi, S Fraden, JM Yeomans, LS Hirst, TN Shendruk
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
An empirical model for solvation based on surface site interaction points
DP Reynolds, MC Storer, CA Hunter
Chem Sci
(2021)
12
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science
J Mavračić, CJ Court, T Isazawa, SR Elliott, JM Cole
J Chem Inf Model
(2021)
61
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
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
Proc Natl Acad Sci U S A
(2021)
118
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
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
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
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
Physical Chemistry Chemical Physics
(2021)
23
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
(2021)
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
Defect-Dependent Corrugation in Graphene.
FL Thiemann, P Rowe, A Zen, EA Müller, A Michaelides
Nano Lett
(2021)
21
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
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
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
A Bunescu, Y Abdelhamid, MJ Gaunt
Nature
(2021)
598
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: Structure, Function, and Bioinformatics
(2021)
89
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
(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
Computational toxicology (Amsterdam, Netherlands)
(2021)
20
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)