Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 3001 - 3020 of 29290 publications
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)
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
(2022)
(doi: 10.17863/CAM.86461)
Nested sampling for physical scientists
Nature Reviews Methods Primers
(2022)
2
39
(doi: 10.1038/s43586-022-00121-x)
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)
Towards understanding solvation effects on the conformational entropy of non-rigid molecules.
Phys Chem Chem Phys
(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
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
20220181
(doi: 10.1098/rsif.2022.0181)
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)
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)
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)
Automated optimisation of solubility and conformational stability of antibodies and proteins
(2022)
(doi: 10.1101/2022.05.20.492798)
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 Crystallising Magnesium Sulfate Heptahydrate Solutions with Terahertz Transmission Spectroscopy
Crystal Growth and 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)
The Impact of Activity-Based Protein Profiling in Malaria Drug Discovery
Chemmedchem
(2022)
17
e202200174
(doi: 10.1002/cmdc.202200174)