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- Currently displaying 3381 - 3400 of 29659 publications
Making the most of data: Quantum Monte Carlo postanalysis revisited
Physical Review E
(2022)
105
045313
(doi: 10.1103/physreve.105.045313)
Perpendicular and Parallel Phase Separation in Two Species Driven
Diffusive Lattice Gases
(2022)
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field.
Journal of Chemical Physics
(2022)
156
154107
(doi: 10.1063/5.0084040)
Ibrutinib inhibits BMX-dependent endothelial VCAM-1 expression in vitro and pro-atherosclerotic endothelial activation and platelet adhesion in vivo
Cellular and molecular bioengineering
(2022)
15
231
(doi: 10.1007/s12195-022-00723-1)
Beyond Platonic: How to Build Metal-Organic Polyhedra Capable of Binding Low-Symmetry, Information-Rich Molecular Cargoes
Chemical reviews
(2022)
122
10393
(doi: 10.1021/acs.chemrev.1c00763)
Thermodynamically Driven Synthetic Optimization for Cation-Disordered Rock Salt Cathodes
Advanced Energy Materials
(2022)
12
2103923
(doi: 10.1002/aenm.202103923)
A Kinetic Map of the Influence of Biomimetic Lipid Membrane Models on Aβ42 Aggregation
(2022)
2022.04.16.488542
(doi: 10.1101/2022.04.16.488542)
A nano-magnetic size selective cfDNA extraction platform for liquid biopsy with enhanced precision
Journal of Chromatography B Analytical Technologies in the Biomedical and Life Sciences
(2022)
1199
123236
resPAINT: Accelerating volumetric super-resolution localisation microscopy by active control of probe emission
(2022)
(doi: 10.1101/2022.04.14.488333)
Energy Landscapes for Base-Flipping in a Model DNA Duplex
The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2022)
126
3012
(doi: 10.1021/acs.jpcb.2c00340)
Hidden information on protein function in censuses of proteome foldedness.
Nature communications
(2022)
13
1992
(doi: 10.1038/s41467-022-29661-2)
Oxidation of Individual Aromatic Species Gives Rise to Humic-like Optical Properties
Environmental Science & Technology Letters
(2022)
9
452
(doi: 10.1021/acs.estlett.2c00161)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
(2022)
(doi: 10.26434/chemrxiv-2022-prz2r)
Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility
(2022)
(doi: 10.21203/rs.3.rs-1173692/v1)
Single-Source Deposition of Mixed-Metal Oxide Films Containing Zirconium and 3d Transition Metals for (Photo)electrocatalytic Water Oxidation
Inorganic Chemistry: including bioinorganic chemistry
(2022)
61
6223
An Integrated Carbon Nitride‐Nickel Photocatalyst for the Amination of Aryl Halides Using Sodium Azide
Angew Chem Int Ed Engl
(2022)
61
e202203176
(doi: 10.1002/anie.202203176)
Development of small cyclic peptides targeting the CK2α/β interface.
Chemical communications (Cambridge, England)
(2022)
58
4791
(doi: 10.1039/d2cc00707j)
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Molecular Pharmaceutics
(2022)
19
1488
Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction
Chemical Science
(2022)
13
5988
(doi: 10.1039/d2sc00890d)
Micromechanics of soft materials using microfluidics
MRS Bulletin
(2022)
47
119
(doi: 10.1557/s43577-022-00279-5)