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- Currently displaying 4621 - 4640 of 30598 publications
Submersed micropatterned structures control active nematic flow, topology, and concentration
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
e2106038118
(doi: 10.1073/pnas.2106038118)
An empirical model for solvation based on surface site interaction points
Chem Sci
(2021)
12
13193
(doi: 10.1039/d1sc03392a)
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science
J Chem Inf Model
(2021)
61
4280
(doi: 10.1021/acs.jcim.1c00446)
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces.
The journal of physical chemistry letters
(2021)
12
9108
(doi: 10.1021/acs.jpclett.1c02574)
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling.
Proc Natl Acad Sci U S A
(2021)
118
e2024250118
(doi: 10.1073/pnas.2024250118)
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models.
Environmental Science and Ecotechnology
(2021)
8
100124
(doi: 10.1016/j.ese.2021.100124)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses
The EMBO Journal
(2021)
40
e107711
(doi: 10.15252/embj.2021107711)
Photoredox-Catalyzed Dehydrogenative Csp3-Csp2 Cross-Coupling of Alkylarenes to Aldehydes in Flow.
The Journal of Organic Chemistry
(2021)
86
13559
(doi: 10.1021/acs.joc.1c01621)
Fcc vs. hcp competition in colloidal hard-sphere nucleation: on their relative stability, interfacial free energy and nucleation rate.
Physical Chemistry Chemical Physics
(2021)
23
19611
(doi: 10.1039/d1cp01784e)
Machine learning potentials for complex aqueous systems made simple
(2021)
(doi: 10.48550/arxiv.2106.00048)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use
PLoS Biology
(2021)
19
e3001389
(doi: 10.1371/journal.pbio.3001389)
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)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
Nature
(2021)
598
597
(doi: 10.1038/s41586-021-03980-8)
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 of the United States of America
(2021)
118
e2108790118
(doi: 10.1073/pnas.2108790118)
Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
Proteins: Structure, Function, and Bioinformatics
(2021)
89
1800
(doi: 10.1002/prot.26222)
Machine learning potentials for complex aqueous systems made simple
Proceedings of the National Academy of Sciences
(2021)
118
e2110077118
(doi: 10.1073/pnas.2110077118)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities
Computational toxicology (Amsterdam, Netherlands)
(2021)
20
100188
(doi: 10.1016/j.comtox.2021.100188)
Dielectric control of reverse intersystem crossing in thermally-activated delayed fluorescence emitters
(2021)
(doi: 10.48550/arxiv.2109.05945)