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- Currently displaying 2481 - 2500 of 29337 publications
Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
(2022)
(doi: 10.26434/chemrxiv-2022-2k8g5)
Thermal degradation of n-hexadecane base oil and its impact on boundary friction and surface adsorption
– Tribology International
(2022)
170,
107492
Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola
– Journal of agricultural and food chemistry
(2022)
70,
7122
(doi: 10.1021/acs.jafc.2c01952)
Reckoning with the Rocky Relationship Between Eruption Size and Climate Response: Toward a Volcano-Climate Index
(2022)
50,
627
Corrigendum to ‘Surface passivation and oxide encapsulation to improve optical properties of a single GaAs quantum dot close to the surface’. [Appl. Surf. Sci. 532 (2020) 147360]
– Applied Surface Science
(2022)
585,
152809
(doi: 10.1016/j.apsusc.2022.152809)
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
– Chem Sci
(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)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI–BiVO4 tandems
– Nature Materials
(2022)
21,
864
(doi: 10.1038/s41563-022-01262-w)
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
(2022)
(doi: 10.17863/CAM.86461)
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)
Nested sampling for physical scientists
– Nature Reviews Methods Primers
(2022)
2,
39
(doi: 10.1038/s43586-022-00121-x)
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
– Physical Chemistry Chemical Physics
(2022)
24,
12249
(doi: 10.1039/d1cp05805c)
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)
Deep‐Sea 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)
Polysaccharide metabolism regulates structural colour in bacterial colonies.
– J R Soc Interface
(2022)
19,
505
(doi: 10.1098/rsif.2022.0181)
Toward Rapid Aspartic Acid Isomer Localization in Therapeutic Peptides Using Cyclic Ion Mobility Mass Spectrometry.
– Journal of the American Society for Mass Spectrometry
(2022)
33,
1204
(doi: 10.1021/jasms.2c00053)
FuzDrop on AlphaFold: visualizing the sequence-dependent propensity of liquid-liquid phase separation and aggregation of proteins.
– Nucleic acids research
(2022)
50,
w337
(doi: 10.1093/nar/gkac386)
Evaluation guidelines for machine learning tools in the chemical sciences.
– Nat Rev Chem
(2022)
6,
428
(doi: 10.1038/s41570-022-00391-9)