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- Currently displaying 1081 - 1100 of 29855 publications
Step Forward Cross Validation for Bioactivity Prediction: Out of Distribution Validation in Drug Discovery.
(2024)
(doi: 10.1101/2024.07.02.601740)
Negative Cooperativity in the Formation of H-Bond Networks involving Primary Anilines
Chemical Science
(2024)
15
12036
(doi: 10.1039/d4sc03719g)
Accelerating Formulation Design via Machine Learning: Generating a High-throughput Shampoo Formulations Dataset.
Scientific Data
(2024)
11
728
(doi: 10.1038/s41597-024-03573-w)
Ammonium halide selective ion pair recognition and extraction with a chalcogen bonding heteroditopic receptor
Dalton Transactions
(2024)
53
11141
(doi: 10.1039/d4dt01376j)
Progressive polymer deformation induced by polar activity and the influence of inertia
Physical Review Research
(2024)
6
l032002
Novel Magnetic Resonance Techniques as Applied to Metallic Phases in Lithium-Ion Battery Electrodes
(2024)
(doi: 10.17863/CAM.114105)
Oscillatory Active State of a Pd Nanocatalyst Identified by In Situ Capture of the Instantaneous Structure-Activity Change at the Atomic Scale.
Journal of the American Chemical Society
(2024)
146
18341
(doi: 10.1021/jacs.4c02830)
Path Integral Simulations of Condensed-Phase Vibrational Spectroscopy
Annual review of physical chemistry
(2024)
75
397
The Atom Surface Site Interaction Point Approach to Non-Covalent Interactions
(2024)
(doi: 10.17863/CAM.112091)
Carbonylative transformations with Pd catalysts supported on bio-degradable urea-based polymer – Part A
Catalysis Today
(2024)
441
114903
(doi: 10.1016/j.cattod.2024.114903)
Singlet Fission in Pechmann Dyes: Planar Chromophore Design and Understanding.
J Am Chem Soc
(2024)
146
18253
(doi: 10.1021/jacs.4c00288)
Automated high-throughput selection of DNA aptamers using a common optical next-generation sequencer
(2024)
(doi: 10.1101/2024.06.24.600375)
Design of a Lead-Like Cysteine-Targeting Covalent Library and the Identification of Hits to Cys55 of Bfl-1
Journal of Medicinal Chemistry
(2024)
67
11209
(doi: 10.1021/acs.jmedchem.4c00781)
Binary Adsorption of Carbon Dioxide and Water Vapor on Amine-Impregnated Silica
Industrial & Engineering Chemistry Research
(2024)
63
11559
(doi: 10.1021/acs.iecr.4c00659)
α-Synuclein Oligomers Displace Monomeric α-Synuclein from Lipid Membranes.
ACS nano
(2024)
18
17469
(doi: 10.1021/acsnano.3c10889)
Advances in volumetric super-resolution microscopy and single-particle tracking
(2024)
(doi: 10.17863/CAM.113698)
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A
eLife
(2024)
12
RP91506
(doi: 10.7554/elife.91506.3)
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A.
eLife
(2024)
12
RP91506
(doi: 10.7554/elife.91506)
Bin2cell reconstructs cells from high resolution Visium HD data
(2024)
(doi: 10.1101/2024.06.19.599766)
Stability and Redox Mechanisms of Ni-Rich NMC Cathodes: Insights from First-Principles Many-Body Calculations
Chemistry of Materials
(2024)
36
6575