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Yusuf Hamied Department of Chemistry

Analysing a billion reactions with the RInChI
JM Goodman, G Blanke, H Kraut
– Pure and Applied Chemistry
Extended sulfonated bipyridine ligands targeting the para-selective borylation of arenes
JL Douthwaite, RJ Phipps
– Tetrahedron
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)
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
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
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
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
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
– WIREs Computational Molecular Science
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
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
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)
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)
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
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
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
– Wiley Interdisciplinary Reviews Computational Molecular Science
ARTN e1603
The DP5 probability, quantification and visualisation of structural uncertainty in single molecules
A Howarth, JM Goodman
– Chemical science
Using Solid Catalysts in Disulfide‐Based Dynamic Combinatorial Solution‐ and Mechanochemistry
AM Belenguer, AAL Michalchuk, GI Lampronti, JKM Sanders
– ChemSusChem
What has Royal Society Open Science achieved in its first few years?
JKM Sanders
– R Soc Open Sci
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
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