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- Currently displaying 2581 - 2600 of 29480 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)
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}
– Langmuir: the ACS journal of surfaces and colloids
(2022)
38,
7256
(doi: 10.1021/acs.langmuir.2c00740)
Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola.
– J Agric Food Chem
(2022)
70,
7122
(doi: 10.1021/acs.jafc.2c01952)
Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
(2022)
(doi: 10.26434/chemrxiv-2022-2k8g5)
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)
Thermal degradation of n-hexadecane base oil and its impact on boundary friction and surface adsorption
– Tribology International
(2022)
170,
107492
Reckoning with the Rocky Relationship Between Eruption Size and Climate Response: Toward a Volcano-Climate Index
(2022)
50,
627
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)
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 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)
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)
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
(2022)
(doi: 10.17863/CAM.86461)
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 : PCCP
(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)