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Yusuf Hamied Department of Chemistry

 

Recent Publications from the Synthesis Research Interest Group

Analysing a billion reactions with the RInChI
JM Goodman, G Blanke, H Kraut
– Pure and Applied Chemistry
(2022)
(DOI: 10.1515/pac-2021-2008)
Extended sulfonated bipyridine ligands targeting the para-selective borylation of arenes
JL Douthwaite, RJ Phipps
– Tetrahedron
(2022)
132831
(DOI: 10.1016/j.tet.2022.132831)
Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols
AC Colgan, RSJ Proctor, DC Gibson, P Chuentragool, ASK Lahdenperä, K Ermanis, RJ Phipps
– Angewandte Chemie (International ed. in English)
(2022)
e202200266
(DOI: 10.1002/anie.202200266)
RSC CICAG Open Chemical Science Meeting: integrating chemical data from two symposia and a series of workshops
CJ Swain, JG Frey, JM Goodman
– Pure and Applied Chemistry
(2022)
(DOI: 10.1515/pac-2021-1003)
Towards Quantifying the Uncertainty in In Silico Predictions using Bayesian Learning
TEH Allen, AM Middleton, JM Goodman, PJ Russell, P Kukic, S Gutsell
– Computational Toxicology
(2022)
100228
(DOI: 10.1016/j.comtox.2022.100228)
Systematic Parameterization of Ion-Surfactant Interactions in Dissipative Particle Dynamics Using Setschenow Coefficients
E Lavagnini, JL Cook, PB Warren, CA Hunter
– The Journal of Physical Chemistry B
(2022)
126,
2308
(DOI: 10.1021/acs.jpcb.2c00101)
Pd(II)-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Arylation of Cyclopropanes and Cyclobutanes Guided by Tertiary Alkylamines.
J Rodrigalvarez, LA Reeve, J Miró, MJ Gaunt
– Journal of the American Chemical Society
(2022)
144,
3939
(DOI: 10.1021/jacs.1c11921)
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
– WIREs Computational Molecular Science
(2022)
(DOI: 10.1002/wcms.1603)
ThX: a next generation probe for the early detection of amyloid aggregates
L-M Needham, J Weber, JA Varela, JWB Fyfe, DT Do, CK Xu, D Klenerman, CM Dobson, CA Hunter, SE Bohndiek, TN Snaddon, SF Lee
– Biophysical Journal
(2022)
121,
19a
(DOI: 10.1016/j.bpj.2021.11.2608)
Automated multi-objective reaction optimisation: which algorithm should I use?
P Müller, AD Clayton, J Manson, S Riley, OS May, N Govan, S Notman, SV Ley, TW Chamberlain, RA Bourne
– Reaction Chemistry & Engineering
(2022)
7,
987
(DOI: 10.1039/d1re00549a)
Divinylpyrimidine reagents generate antibody-drug conjugates with excellent in vivo efficacy and tolerability.
SJ Walsh, S Omarjee, FM Dannheim, D-L Couturier, D Bexheti, L Mendil, G Cronshaw, T Fewster, C Gregg, C Brodie, JL Miller, R Houghton, JS Carroll, DR Spring
– Chemical communications (Cambridge, England)
(2022)
58,
1962
(DOI: 10.1039/d1cc06766d)
Development of small cyclic peptides targeting the CK2α/β interface
EL Atkinson, J Iegre, C D'Amore, P Brear, M Salvi, M Hyvönen, DR Spring
– Chemical communications (Cambridge, England)
(2022)
58,
4791
(DOI: 10.1039/d2cc00707j)
Correction: The multifaceted nature of antimicrobial peptides: current synthetic chemistry approaches and future directions.
BH Gan, J Gaynord, SM Rowe, T Deingruber, DR Spring
– Chemical Society reviews
(2022)
51,
792
(DOI: 10.1039/d1cs90109e)
The Effect of Chemical Representation on Active Machine Learning Towards Closed-Loop Optimization
A Pomberger, AA Pedrina McCarthy, A Khan, S Sung, CJ Taylor, MJ Gaunt, L Colwell, D Walz, AA Lapkin
– Reaction Chemistry &amp; Engineering
(2022)
(DOI: 10.1039/d2re00008c)
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
– Wiley Interdisciplinary Reviews Computational Molecular Science
(2022)
ARTN e1603
(DOI: 10.1002/wcms.1603)
The DP5 probability, quantification and visualisation of structural uncertainty in single molecules
A Howarth, JM Goodman
– Chemical science
(2022)
13,
3507
(DOI: 10.1039/d1sc04406k)
Using Solid Catalysts in Disulfide‐Based Dynamic Combinatorial Solution‐ and Mechanochemistry
AM Belenguer, AAL Michalchuk, GI Lampronti, JKM Sanders
– ChemSusChem
(2021)
15,
e202102416
(DOI: 10.1002/cssc.202102416)
What has Royal Society Open Science achieved in its first few years?
JKM Sanders
– R Soc Open Sci
(2021)
8,
211838
(DOI: 10.1098/rsos.211838)
Energetics of lipid transport by the ABC transporter MsbA is lipid dependent
D Guo, H Singh, A Shimoyama, C Guffick, Y Tang, SM Rowe, T Noel, DR Spring, K Fukase, HW van Veen
– Communications biology
(2021)
4,
1379
(DOI: 10.1038/s42003-021-02902-8)
Targeting a Novel KRAS Binding Site: Application of One-Component Stapling of Small (5-6-mer) Peptides.
G Fumagalli, RJ Carbajo, JWM Nissink, J Tart, R Dou, AP Thomas, DR Spring
– Journal of medicinal chemistry
(2021)
64,
17287
(DOI: 10.1021/acs.jmedchem.1c01334)

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