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  • Currently displaying 5161 - 5180 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
Q Li, AD Bond, TM Korter, JA Zeitler
(2021)
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
Proc Natl Acad Sci U S A
(2021)
118
An empirical model for solvation based on surface site interaction points
DP Reynolds, MC Storer, CA Hunter
Chemical science
(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
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
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
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
J Org Chem
(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 : PCCP
(2021)
23
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
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
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
(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
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
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)
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
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
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