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Department of Chemistry

 

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  • Currently displaying 1 - 20 of 22095 publications
Machine learning for target discovery in drug development
T Rodrigues, GJL Bernardes
– Current opinion in chemical biology
(2020)
56,
16
Exploiting air cushion effects to optimise a superhydrophobic/hydrophilic patterned liquid ring sealed air bearing
J Wen, T Reddyhoff, S Hu, D Puhan, D Dini
– Tribology International
(2020)
144,
106129
Formation of metal-organic ligand complexes affects solubility of metals in airborne particles at an urban site in the Po valley.
A Tapparo, V Di Marco, D Badocco, S D'Aronco, L Soldà, P Pastore, BM Mahon, M Kalberer, C Giorio
– Chemosphere
(2020)
241,
125025
Conformational Control in Main Group Phosphazane Anion Receptors and Transporters.
AJ Plajer, J Zhu, P Pröhm, FJ Rizzuto, UF Keyser, DS Wright
– Journal of the American Chemical Society
(2020)
142,
1029
Structural evolution of fused silica below the glass-transition temperature revealed by in-situ neutron total scattering
Y Shi, D Ma, AP Song, B Wheaton, M Bauchy, SR Elliott
– Journal of Non-Crystalline Solids
(2020)
528,
119760
Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
A Trapero, A Pacitto, DS-H Chan, C Abell, TL Blundell, DB Ascher, AG Coyne
– Bioorganic & Medicinal Chemistry Letters
(2020)
30,
126792
The N-terminal Acetylation of α-Synuclein Changes the Affinity for Lipid Membranes but not the Structural Properties of the Bound State
M Runfola, A De Simone, M Vendruscolo, CM Dobson, G Fusco
– Scientific Reports
(2020)
10,
204
Transparent films made of highly scattering particles
T Erdem, Y Lan, P Xu, Y Altıntas, T O'Neil, A Caciagli, C Ducati, E Mutlugun, OA Scherman, E Eiser
– Langmuir : the ACS journal of surfaces and colloids
(2020)
acs.langmuir.9b01014
Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events
AJ Wedlake, M Folia, S Piechota, TEH Allen, JM Goodman, S Gutsell, PJ Russell
– Chemical Research in Toxicology
(2020)
acs.chemrestox.9b00325
The alchemical energy landscape for a pentameric cluster
JWR Morgan, SC Glotzer
– Journal of Chemical Physics
(2020)
152,
014106
Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing
A Ivanova, B Frka-Petesic, A Paul, T Wagner, AN Jumabekov, Y Vilk, J Weber, J Schmedt Auf der Günne, S Vignolini, M Tiemann, D Fattakhova-Rohlfing, T Bein
– ACS applied materials & interfaces
(2020)
acsami.9b11891
Total synthesis and biological evaluation of simplified aplyronine analogues as synthetically tractable anticancer agents
TR Pettigrew, RJ Porter, SJ Walsh, MP Housden, NYS Lam, JS Carroll, JS Parker, DR Spring, I Paterson
– Chemical Communications
(2020)
Multi-scale electrolyte transport simulations for lithium ion batteries
F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, M Veit
– Journal of The Electrochemical Society
(2019)
167,
013522
Towards next generation therapies for cystic fibrosis: Folding, function and pharmacology of CFTR
SJ Bose, G Krainer, DRS Ng, M Schenkel, H Shishido, JS Yoon, PM Haggie, M Schlierf, DN Sheppard, WR Skach
– Journal of Cystic Fibrosis
(2020)
Development of a Novel Cell-Permeable Protein–Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1
DJ Huggins, BS Hardwick, P Sharma, A Emery, L Laraia, F Zhang, AJ Narvaez, M Roberts-Thomson, AT Crooks, RG Boyle, R Boyce, DW Walker, N Mateu, GJ McKenzie, DR Spring, AR Venkitaraman
– ACS Omega
(2020)
acsomega.9b03626
The role of chemical design in the performance of organic semiconductors
H Bronstein, CB Nielsen, BC Schroeder, I McCulloch
– Nature Reviews Chemistry
(2020)
Integration of a Hydrogenase in a Lead Halide Perovskite Photoelectrode for Tandem Solar Water Splitting
E Edwardes Moore, V Andrei, S Zacarias, IAC Pereira, E Reisner
– ACS Energy Letters
(2020)
232
Chapter 13. Functionalisation and Self-assembly of Nanoparticles through Cucurbit[n]uril-based Binding Motifs
K King, K Sokołowski, X Ren, OA Scherman
(2020)
2020-January,
362
Chapter 14. Cucurbit[8]uril-based Polymeric Materials
D Hoogland, J Liu, OA Scherman
(2020)
2020-January,
407
Catalytic C(sp(3))-H bond activation in tertiary alkylamines
J Rodrigalvarez, M Nappi, H Azuma, NJ Flodén, ME Burns, MJ Gaunt
– Nat Chem
(2020)
12,
76