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Department of Chemistry

 

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  • Currently displaying 21 - 40 of 20695 publications
Mutational Basin-Hopping: Combined Structure and Sequence Optimization for Biomolecules.
K Röder, DJ Wales
– Journal of Physical Chemistry Letters
(2018)
9,
6169
Characterisation of particle-surface interactions via anharmonic acoustic transduction
C da Silva Granja, N Sandström, I Efimov, VP Ostanin, W van der Wijngaart, D Klenerman, SK Ghosh
– Sensors and Actuators, B: Chemical
(2018)
272,
175
Controlling the Morphology of Au-Pd Heterodimer Nanoparticles by Surface Ligands
M Kluenker, BM Connolly, DM Marolf, M Nawaz Tahir, K Korschelt, P Simon, U Köhler, S Plana-Ruiz, B Barton, M Panthöfer, U Kolb, W Tremel
– Inorg Chem
(2018)
57,
13640
Across-the-World Automated Optimization and Continuous-Flow Synthesis of Pharmaceutical Agents Operating Through a Cloud-Based Server
DE Fitzpatrick, T Maujean, AC Evans, SV Ley
– Angew Chem Int Ed Engl
(2018)
57,
15128
Posttranslational Chemical Mutagenesis: To Reveal the Role of Noncatalytic Cysteine Residues in Pathogenic Bacterial Phosphatases
JB Bertoldo, H Terenzi, S Hüttelmaier, GJL Bernardes
– Biochemistry
(2018)
57,
6144
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks.
I Cortés-Ciriano, A Bender
– J Chem Inf Model
(2018)
Understanding the Influence of Surface Solvation and Structure on Polymorph Stability: A Combined Mechanochemical and Theoretical Approach.
AM Belenguer, GI Lampronti, N De Mitri, M Driver, CA Hunter, JKM Sanders
– Journal of the American Chemical Society
(2018)
Quantifying Co-Oligomer Formation by Alpha-Synuclein
M Iljina, AJ Dear, GA Garcia, S De, L Tosatto, P Flagmeier, DR Whiten, TCT Michaels, D Frenkel, CM Dobson, TPJ Knowles, D Klenerman
– ACS Nano
(2018)
Analysis of the Ub to Ub-CR Transition in Ubiquitin.
K Röder, DJ Wales
– Biochemistry
(2018)
57,
6180
Highly Reactive Bis-Cyclooctyne-Modified Diarylethene for SPAAC-mediated Cross-Linking
AV Strizhak, K Sharma, O Babii, S Afonin, AS Ulrich, IV Komarov, DR Spring
– Org Biomol Chem
(2018)
Energy-Transfer Pathways and Triplet Lifetime Manipulation in a Zinc Porphyrin/F8BT Hybrid Polymer
J Shaikh, DME Freeman, H Bronstein, TM Clarke
– Journal of Physical Chemistry C
(2018)
122,
23950
Site-Selective Cross-Coupling of Remote Chlorides Enabled by Electrostatically Directed Palladium Catalysis
WA Golding, R Pearce-Higgins, RJ Phipps
– Journal of the American Chemical Society
(2018)
140,
13570
Investigating the Effect of Chain Connectivity on the Folding of a Beta-Sheet Protein On and Off the Ribosome.
AP Marsden, JJ Hollins, C O'Neill, P Ryzhov, S Higson, CATF Mendonça, TO Kwan, LG Kwa, A Steward, J Clarke
– Journal of molecular biology
(2018)
An improved methodology to compute surface site interaction points using high density molecular electrostatic potential surfaces
A Oliver, CA Hunter, R Prohens, JL Rosselló
– Journal of Computational Chemistry
(2018)
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons. II. Large Structures Containing More than 18 Rings.
TK Dickens, RB Mallion
– The journal of physical chemistry. A
(2018)
Amine-borane Dehydropolymerization: Challenges and Opportunities.
AL Colebatch, AS Weller
– Chemistry
(2018)
Synthesis and biological evaluation of 1,2-disubsubstituted 4-quinolone analogues of Pseudonocardia sp natural products
SM Geddis, T Coroama, S Forrest, JT Hodgkinson, M Welch, DR Spring
– Beilstein journal of organic chemistry
(2018)
14,
2680
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons I. Structures with Fewer than 18 Rings.
TK Dickens, RB Mallion
– The journal of physical chemistry. A
(2018)
Statistical Mechanics of Globular Oligomer Formation by Protein Molecules.
AJ Dear, A Šarić, TCT Michaels, CM Dobson, TPJ Knowles
– J Phys Chem B
(2018)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity.
F Svensson, A Zoufir, S Mahmoud, AM Afzal, I Smit, KA Giblin, PJ Clements, JT Mettetal, A Pointon, JS Harvey, N Greene, RV Williams, A Bender
– Chemical research in toxicology
(2018)