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  • Currently displaying 4061 - 4080 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Mechanistic Insights into Dideoxygenation in Gentamicin Biosynthesis
S Li, P Dos Santos Bury, F Huang, J Guo, G Sun, A Reva, C Huang, X Jian, Y Li, J Zhou, Z Deng, FJ Leeper, PF Leadlay, MVB Dias, Y Sun
ACS Catalysis
(2021)
11
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)
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
Journal of chemical information and modeling
(2021)
61
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
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
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
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
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
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
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
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
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
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
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