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- Currently displaying 3061 - 3080 of 29254 publications
RSC CICAG Open Chemical Science meeting: integrating chemical data from two symposia and a series of workshops
Pure and Applied Chemistry
(2022)
94
677
(doi: 10.1515/pac-2021-1003)
An accurate and transferable machine learning potential for carbon (voL 153, 034702, 2020)
The Journal of chemical physics
(2022)
156
159901
(doi: 10.1063/5.0091698)
Physico-Chemical Characterisation of Disease-Related Protein-Protein Interactions in Solution
(2022)
(doi: 10.17863/CAM.90694)
Squalamine and trodusquemine: two natural products for neurodegenerative diseases, from physical chemistry to the clinic.
Natural Product Reports: a journal of current development in bioorganic chemistry
(2022)
39
742
(doi: 10.1039/d1np00042j)
Cohort-based long-term ozone exposure-associated mortality risks with adjusted metrics: A systematic review and meta-analysis
Innovation
(2022)
3
100246
(doi: 10.1016/j.xinn.2022.100246)
On the capacity and superposition of minima in neural network loss function landscapes
Machine Learning Science and Technology
(2022)
3
025004
(doi: 10.1088/2632-2153/ac64e6)
Making the most of data: Quantum Monte Carlo postanalysis revisited
Phys Rev E
(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)
Perpendicular and Parallel Phase Separation in Two Species Driven
Diffusive Lattice Gases
(2022)
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)
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
Cell Mol Bioeng
(2022)
15
231
(doi: 10.1007/s12195-022-00723-1)
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)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
(2022)
(doi: 10.26434/chemrxiv-2022-prz2r)
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
Journal of Physical Chemistry B
(2022)
126
3012
(doi: 10.1021/acs.jpcb.2c00340)
Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility
(2022)
(doi: 10.21203/rs.3.rs-1173692/v1)
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)