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- Currently displaying 4341 - 4360 of 30212 publications
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces.
Journal of Physical Chemistry Letters
(2021)
12
9108
(doi: 10.1021/acs.jpclett.1c02574)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses.
The EMBO Journal
(2021)
40
embj2021107711
(doi: 10.15252/embj.2021107711)
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling.
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
e2024250118
(doi: 10.1073/pnas.2024250118)
Fcc vs. hcp competition in colloidal hard-sphere nucleation: on their relative stability, interfacial free energy and nucleation rate.
Physical chemistry chemical physics : PCCP
(2021)
23
19611
(doi: 10.1039/d1cp01784e)
Machine learning potentials for complex aqueous systems made simple
(2021)
(doi: 10.48550/arxiv.2106.00048)
Defect-Dependent Corrugation in Graphene.
Nano Letters
(2021)
21
8143
(doi: 10.1021/acs.nanolett.1c02585)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use
PLoS Biology
(2021)
19
e3001389
(doi: 10.1371/journal.pbio.3001389)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
Nature
(2021)
598
597
(doi: 10.1038/s41586-021-03980-8)
Combating small-molecule aggregation with machine learning
Cell Reports Physical Science
(2021)
2
100573
(doi: 10.1016/j.xcrp.2021.100573)
Deformable and Robust Core–Shell Protein Microcapsules Templated by Liquid–Liquid Phase‐Separated Microdroplets
Advanced Materials Interfaces
(2021)
8
2101071
(doi: 10.1002/admi.202101071)
Machine learning potentials for complex aqueous systems made simple
Proceedings of the National Academy of Sciences
(2021)
118
e2110077118
(doi: 10.1073/pnas.2110077118)
The binding of the small heat-shock protein αB-crystallin to fibrils of α-synuclein is driven by entropic forces.
Proceedings of the National Academy of Sciences
(2021)
118
e2108790118
(doi: 10.1073/pnas.2108790118|1of8)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities
Computational Toxicology
(2021)
20
100188
(doi: 10.1016/j.comtox.2021.100188)
Ageing related states of complex network formation in areca nuts
(2021)
On the "Matsubara heating" of overtone intensities and Fermi splittings.
Journal of Chemical Physics
(2021)
155
104107
(doi: 10.1063/5.0056829)
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
(2021)
(doi: 10.17863/CAM.85023)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes
Nat Commun
(2021)
12
5383
(doi: 10.1038/s41467-021-25613-4)
Myths of high-throughput experimentation and automation in chemistry
Chem
(2021)
7
2259
(doi: 10.1016/j.chempr.2021.08.012)
In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.
Comput Toxicol
(2021)
20
100187
(doi: 10.1016/j.comtox.2021.100187)