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Yusuf Hamied Department of Chemistry

 

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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
I Sanchez-Burgos, AR Tejedor, C Vega, MM Conde, E Sanz, J Ramirez, JR ESPINOSA
(2022)
Thermal degradation of n-hexadecane base oil and its impact on boundary friction and surface adsorption
S Campen, CWJ Fong, W Song, JSS Wong
– Tribology International
(2022)
170,
107492
Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola
TV Antipova, V Zhelifonova, KV Zaitsev, A Zherebker, B Baskunov, YF Oprunenko
– Journal of agricultural and food chemistry
(2022)
70,
7122
Reckoning with the Rocky Relationship Between Eruption Size and Climate Response: Toward a Volcano-Climate Index
A Schmidt, BA Black
(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]
S Manna, H Huang, SF Covre da Silva, C Schimpf, MB Rota, B Lehner, M Reindl, R Trotta, A Rastelli
– Applied Surface Science
(2022)
585,
152809
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
SE Thomas, WJ McCarthy, J El Bakali, KP Brown, SY Kim, M Blaszczyk, V Mendes, C Abell, RA Floto, AG Coyne, TL Blundell
– Frontiers in Molecular Biosciences
(2022)
9,
880432
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
F Brotzakis, T Löhr, S Truong, S Hoff, M Bonomi, M Vendruscolo
(2022)
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations
S Lee, K Ermanis, JM Goodman
– Chem Sci
(2022)
13,
7204
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
A Garaizar, T Higginbotham, I Sanchez-Burgos, A tejedor, E Sanz, JR ESPINOSA
(2022)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI–BiVO4 tandems
V Andrei, RA Jagt, M Rahaman, L Lari, VK Lazarov, JL MacManus-Driscoll, RLZ Hoye, E Reisner
– Nature Materials
(2022)
21,
864
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
N Warner
(2022)
Investigating the structural changes due to adenosine methylation of the Kaposi's sarcoma-associated herpes virus ORF50 transcript.
K Röder, AM Barker, A Whitehouse, S Pasquali
– PLOS Computational Biology
(2022)
18,
e1010150
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
– Nature Reviews Methods Primers
(2022)
2,
39
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
J Gorges, S Grimme, A Hansen, P Pracht
– Physical Chemistry Chemical Physics
(2022)
24,
12249
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
S Oswald, M Bock, HA Gasteiger
– Journal of the Electrochemical Society
(2022)
169,
050501
Deep‐Sea Discovery and Detective Work: Towards Solving the Hemicalide Structural Enigma through Computational NMR Analysis and Stereocontrolled Synthesis
NYS Lam, I Paterson
– European Journal of Organic Chemistry
(2022)
2022,
ARTN e202200467
Polysaccharide metabolism regulates structural colour in bacterial colonies.
GT van de Kerkhof, L Schertel, L Catòn, TG Parton, KH Müller, HF Greer, CJ Ingham, S Vignolini
– J R Soc Interface
(2022)
19,
505
Toward Rapid Aspartic Acid Isomer Localization in Therapeutic Peptides Using Cyclic Ion Mobility Mass Spectrometry.
K Gibson, DA Cooper-Shepherd, E Pallister, SE Inman, SE Jackson, V Lindo
– Journal of the American Society for Mass Spectrometry
(2022)
33,
1204
FuzDrop on AlphaFold: visualizing the sequence-dependent propensity of liquid-liquid phase separation and aggregation of proteins.
A Hatos, SCE Tosatto, M Vendruscolo, M Fuxreiter
– Nucleic acids research
(2022)
50,
w337
Evaluation guidelines for machine learning tools in the chemical sciences.
A Bender, N Schneider, M Segler, W Patrick Walters, O Engkvist, T Rodrigues
– Nat Rev Chem
(2022)
6,
428