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- Currently displaying 3341 - 3360 of 29607 publications
Making the most of data: Quantum Monte Carlo postanalysis revisited
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics
(2022)
105
045313
(doi: 10.1103/physreve.105.045313)
Crystal Forms of the Antihypertensive Drug Irbesartan: A Crystallographic, Spectroscopic, and Hirshfeld Surface Analysis Investigation.
ACS Omega
(2022)
7
14897
(doi: 10.1021/acsomega.2c00545)
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field.
The 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.
Cell Mol Bioeng
(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
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)
resPAINT: Accelerating volumetric super-resolution localisation microscopy by active control of probe emission
(2022)
(doi: 10.1101/2022.04.14.488333)
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)
Hidden information on protein function in censuses of proteome foldedness
Nat Commun
(2022)
13
1992
(doi: 10.1038/s41467-022-29661-2)
Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility
(2022)
(doi: 10.21203/rs.3.rs-1173692/v1)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
(2022)
(doi: 10.26434/chemrxiv-2022-prz2r)
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)
Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure
Mol Pharm
(2022)
19
1488
Single-source Deposition of Mixed-metal Oxide Films Containing Zirconium and 3d Transition Metals for (Photo)electrocatalytic Water Oxidation
Inorg Chem
(2022)
61
6223
Development of small cyclic peptides targeting the CK2α/β interface.
Chem Commun (Camb)
(2022)
58
4791
(doi: 10.1039/d2cc00707j)
Micromechanics of soft materials using microfluidics
MRS Bulletin
(2022)
47
119
(doi: 10.1557/s43577-022-00279-5)
Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction
Chem Sci
(2022)
13
5988
(doi: 10.1039/d2sc00890d)