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- Currently displaying 3261 - 3280 of 29657 publications
Evaluating Geometric Definitions of Stacking for RNA Dinucleoside Monophosphates Using Molecular Mechanics Calculations
Journal of chemical theory and computation
(2022)
18
3637
(doi: 10.1021/acs.jctc.2c00178)
Multilevel simulation of hard-sphere mixtures
(2022)
A Small Molecule Stabilizes the Disordered Native State of the Alzheimer’s Aβ Peptide
ACS Chemical Neuroscience
(2022)
13
1738
(doi: 10.1021/acschemneuro.2c00116)
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}
Langmuir
(2022)
38
7256
(doi: 10.1021/acs.langmuir.2c00740)
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
Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
(2022)
(doi: 10.26434/chemrxiv-2022-2k8g5)
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design
Front Mol Biosci
(2022)
9
880432
(doi: 10.3389/fmolb.2022.880432)
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 (2020) 532, (S0169433220321176), (10.1016/j.apsusc.2020.147360))
Applied Surface Science
(2022)
585
152809
(doi: 10.1016/j.apsusc.2022.152809)
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 patchycolloids
(2022)
(doi: 10.26434/chemrxiv-2022-sm80v)
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)
Investigating the structural changes due to adenosine methylation of the Kaposi's sarcoma-associated herpes virus ORF50 transcript.
PLoS Comput Biol
(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)
Polysaccharide metabolism regulates structural colour in bacterial colonies.
Journal of the Royal Society Interface
(2022)
19
20220181
(doi: 10.1098/rsif.2022.0181)
Towards understanding solvation effects on the conformational entropy of non-rigid molecules.
Physical chemistry chemical physics : PCCP
(2022)
24
12249
(doi: 10.1039/d1cp05805c)
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
e202200467
(doi: 10.1002/ejoc.202200467)
