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- Currently displaying 2481 - 2500 of 30170 publications
Enantiopure FeII4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
Optimizing Jastrow factors for the transcorrelated method.
J Chem Phys
(2023)
158
224105
(doi: 10.1063/5.0147877)
Improving comparative analyses of Hi-C data via contrastive self-supervised learning
Briefings in Bioinformatics
(2023)
24
bbad193
(doi: 10.1093/bib/bbad193)
Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy
Organic and Biomolecular Chemistry
(2023)
21
4591
(doi: 10.1039/d3ob00351e)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics.
Biotechnology Advances
(2023)
67
108192
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
The Journal of Physical Chemistry C
(2023)
127
11419
(doi: 10.1021/acs.jpcc.3c03075)
Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005-2018
Atmospheric Chemistry and Physics
(2023)
23
6169
(doi: 10.5194/acp-23-6169-2023)
Fragment merging strategies with known pyrimidine scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis
ChemMedChem
(2023)
18
e202300240
(doi: 10.1002/cmdc.202300240)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers †
Chem Sci
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
Effect of the solvent quadrupolarizability on the strength of the hydrogen bond: Theory vs data for the Gibbs energy and enthalpy of homo- and heteroassociation between carboxylic acids and water.
The Journal of Chemical Physics
(2023)
158
214503
(doi: 10.1063/5.0137052)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
Expert Opin Drug Discov
(2023)
18
881
C 13 NMR study of the electronic structure of lithiated graphite
Physical Review Materials
(2023)
7
065402
De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection
The Journal of Infectious Diseases
(2023)
228
723
(doi: 10.1093/infdis/jiad135)
Stable and scalable computation of state visitation probabilities in finite Markov chains
The Journal of Chemical Physics
(2023)
158
211103
(doi: 10.1063/5.0154772)
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)
Global sensitivities of reactive N and S gas and particle concentrations and deposition to precursor emissions reductions
Atmospheric Chemistry and Physics
(2023)
23
6083
(doi: 10.5194/acp-23-6083-2023)
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Journal of cheminformatics
(2023)
15
56
(doi: 10.1186/s13321-023-00723-x)
Transcorrelated coupled cluster methods. II. Molecular systems
The Journal of Chemical Physics
(2023)
158
214106
(doi: 10.1063/5.0151412)
The Development of Peroxide-Responsive Arylboronic Acids for Antibody-Drug Conjugates and Small-Molecule Prodrugs
(2023)
(doi: 10.17863/CAM.104039)