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- Currently displaying 3001 - 3020 of 29948 publications
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design
Frontiers in Molecular Biosciences
(2022)
9
880432
(doi: 10.3389/fmolb.2022.880432)
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
(2022)
(doi: 10.1101/2022.05.29.493873)
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations
Chemical Science
(2022)
13
7204
(doi: 10.1039/d1sc06324c)
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
(2022)
(doi: 10.26434/chemrxiv-2022-sm80v)
Investigating the structural changes due to adenosine methylation of the Kaposi’s sarcoma-associated herpes virus ORF50 transcript
PLOS Computational Biology
(2022)
18
e1010150
(doi: 10.1371/journal.pcbi.1010150)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI-BiVO4 tandems
Nature Materials
(2022)
21
864
(doi: 10.1038/s41563-022-01262-w)
Nested sampling for physical scientists
Nature Reviews Methods Primers
(2022)
2
39
(doi: 10.1038/s43586-022-00121-x)
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
(2022)
(doi: 10.17863/CAM.86461)
DeepāSea Discovery and Detective Work: Towards Solving the Hemicalide Structural Enigma through Computational NMR Analysis and Stereocontrolled Synthesis
European Journal of Organic Chemistry
(2022)
2022
ARTN e202200467
(doi: 10.1002/ejoc.202200467)
Elucidating the Implications of Morphology on Fundamental Characteristics of Nickel-Rich NCMs: Cracking, Gassing, Rate Capability, and Thermal Stability of Poly- and Single-Crystalline NCM622
Journal of The Electrochemical Society
(2022)
169
050501
(doi: 10.1149/1945-7111/ac5f7f)
Polysaccharide metabolism regulates structural colour in bacterial colonies
Journal of the Royal Society, Interface
(2022)
19
505
(doi: 10.1098/rsif.2022.0181)
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
Physical Chemistry Chemical Physics
(2022)
24
12249
(doi: 10.1039/d1cp05805c)
Toward Rapid Aspartic Acid Isomer Localization in Therapeutic Peptides Using Cyclic Ion Mobility Mass Spectrometry.
J Am Soc Mass Spectrom
(2022)
33
1204
(doi: 10.1021/jasms.2c00053)
Rapid differentiation of SARS-CoV-2 variants on a nanotechnology enhanced DNA-chip
(2022)
(doi: 10.21203/rs.3.rs-1641024/v1)
FuzDrop on AlphaFold: visualizing the sequence-dependent propensity of liquid–liquid phase separation and aggregation of proteins
Nucleic Acids Res
(2022)
50
w337
(doi: 10.1093/nar/gkac386)
Evaluation guidelines for machine learning tools in the chemical sciences.
Nature Reviews Chemistry
(2022)
6
428
(doi: 10.1038/s41570-022-00391-9)
Ni-O-redox, oxygen loss and singlet oxygen formation in LiNiO$_2$
cathodes for Li-ion batteries
(2022)
Butene emissions from coastal ecosystems may contribute to new particle formation
Geophysical Research Letters
(2022)
49
ARTN e2022GL098770
(doi: 10.1029/2022gl098770)
In Situ Observation of the Structure of Crystallizing Magnesium Sulfate Heptahydrate Solutions with Terahertz Transmission Spectroscopy.
Crystal growth & design
(2022)
22
3961
(doi: 10.1021/acs.cgd.2c00352)
Self-Assembled Liposomes Enhance Electron Transfer for Efficient Photocatalytic CO2 Reduction.
J Am Chem Soc
(2022)
144
9399
(doi: 10.1021/jacs.2c01725)