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- Currently displaying 4981 - 5000 of 31556 publications
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid.
J Org Chem
(2021)
86
17404
(doi: 10.1021/acs.joc.1c01836)
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
Methods Mol Biol
(2021)
2390
1
(doi: 10.1007/978-1-0716-1787-8_1)
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
(2021)
(doi: 10.26434/chemrxiv-2021-qjzbj)
Protein conformational transitions explored by a morphing approach based on normal mode analysis in internal coordinates
PLoS One
(2021)
16
e0258818
(doi: 10.1371/journal.pone.0258818)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
Journal of chemical theory and computation
(2021)
17
7696
(doi: 10.1021/acs.jctc.1c00647)
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
The Journal of Chemical Physics
(2021)
155
174120
(doi: 10.1063/5.0068250)
A Platform for Site-Specific DNA-Antibody Bioconjugation by Using Benzoylacrylic-Labelled Oligonucleotides
Angewandte Chemie (International ed. in English)
(2021)
60
25905
(doi: 10.1002/anie.202109713)
On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials
ACS Applied Energy Materials
(2021)
4
12562
(doi: 10.1021/acsaem.1c02363)
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
Angewandte Chemie
(2021)
133
26109
(doi: 10.1002/ange.202109713)
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential.
Journal of Physics: Condensed Matter
(2021)
34
034004
(doi: 10.1088/1361-648x/ac2f6d)
Vitamin A and vitamin E metabolites comodulate amyloid-β aggregation
(2021)
2021.10.30.466561
(doi: 10.1101/2021.10.30.466561)
Performance modeling of unmanaged hybrid battery/supercapacitor energy storage systems
Journal of Energy Storage
(2021)
43
103185
(doi: 10.1016/j.est.2021.103185)
Surface-Catalyzed Secondary Nucleation Dominates the Generation of Toxic IAPP Aggregates.
Front Mol Biosci
(2021)
8
757425
(doi: 10.3389/fmolb.2021.757425)
In-situ monitoring of photocatalytic reactions in optofluidic microreactors
(2021)
(doi: 10.17863/CAM.81788)
Atomic surface control of Ge(100) in MOCVD reactors coated with (Ga)As residuals
Applied Surface Science
(2021)
565
150513
(doi: 10.1016/j.apsusc.2021.150513)
A biophotoelectrochemical approach to unravelling the role of cyanobacterial cell structures in exoelectrogenesis
Electrochimica Acta
(2021)
395
139214
Mechanistically driven identification of novel structural alerts for mitochondrial toxicity
Computational Toxicology
(2021)
20
100183
(doi: 10.1016/j.comtox.2021.100183)
Effects of system complexity on protein aggregation in neurodegeneration
(2021)
(doi: 10.17863/CAM.71909)
In vivo rate-determining steps of tau seed accumulation in Alzheimer's disease.
Science advances
(2021)
7
eabh1448
(doi: 10.1126/sciadv.abh1448)
Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation
(2021)