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  • Currently displaying 1 - 20 of 21253 publications
Trodusquemine enhances A beta(42) aggregation but suppresses its toxicity by displacing oligomers from cell membranes
R Limbocker, S Chia, FS Ruggeri, M Perni, R Cascella, GT Heller, G Meisl, B Mannini, J Habchi, TCT Michaels, PK Challa, M Ahn, ST Casford, N Fernando, CK Xu, ND Kloss, SIA Cohen, JR Kumita, C Cecchi, M Zasloff, S Linse, TPJ Knowles, F Chiti, M Vendruscolo, CM Dobson
– Nat Commun
(2019)
10,
225
Cycloaddition Strategies for the Synthesis of Diverse Heterocyclic Spirocycles for Fragment-Based Drug Discovery
TA King, HL Stewart, KT Mortensen, AJP North, HF Sore, DR Spring
– European Journal of Organic Chemistry
(2019)
2019,
5219
Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account
G Drakakis, I Cortés‐Ciriano, B Alexander‐Dann, A Bender
– Current Protocols in Chemical Biology
(2019)
11,
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
HGA Burton, AJW Thom
– J Chem Theory Comput
(2019)
Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry
K Sharma, AV Strizhak, E Fowler, X Wang, W Xu, C Hatt Jensen, Y Wu, HF Sore, YH Lau, M Hyvönen, LS Itzhaki, DR Spring
– Organic & Biomolecular Chemistry
(2019)
Finite field formalism for bulk electrolyte solutions
SJ Cox, M Sprik
– Journal of Chemical Physics
(2019)
151,
064506
PT-Symmetry in Hartree--Fock Theory
HGA Burton, AJW Thom, P-F Loos
– Journal of Chemical Theory and Computation
(2019)
15,
4374
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
S Xiao, H Liang, DJ Wales
– The Journal of Physical Chemistry Letters
(2019)
4829
Cleavable linkers in antibody-drug conjugates.
JD Bargh, A Isidro-Llobet, JS Parker, DR Spring
– Chem Soc Rev
(2019)
48,
4361
Phase behaviour of empirical potentials of titanium dioxide
A Reinhardt
– Journal of Chemical Physics
(2019)
151,
064505
Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease
G Heller, F Aprile, T Michaels, R Limbocker, M Perni, FS Ruggeri, B Mannini, T Löhr, M Bonomi, A De Simone, I Felli, R Pierattelli, T Knowles, C Dobson, M Vendruscolo
(2019)
Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation
SR Adusumalli, GJL Bernardes
– Chem
(2019)
5,
1932
Path-integral dynamics of water using curvilinear centroids
G Trenins, MJ Willatt, SC Althorpe
– Journal of Chemical Physics
(2019)
151,
054109
An engineered monomer binding-protein for α-synuclein efficiently inhibits the proliferation of amyloid fibrils
ED Agerschou, P Flagmeier, T Saridaki, C Galvagnion, D Komnig, L Heid, V Prasad, H Shaykhalishahi, D Willbold, CM Dobson, A Voigt, B Falkenbürger, W Hoyer, AK Buell
– eLife
(2019)
8,
Short-range ordering in battery electrode, the ‘cation-disordered’ rocksalt Li$_{1.25}$Nb$_{0.25}$Mn$_{0.5}$O$_2$
MA Jones, PJ Reeves, ID Seymour, MJ Cliffe, SE Dutton, CP Grey
– Chemical communications (Cambridge, England)
(2019)
55,
9027
Evaluation of linker length effects on a BET bromodomain probe.
R Traquete, E Henderson, S Picaud, PMSD Cal, F Sieglitz, T Rodrigues, R Oliveira, P Filippakopoulos, GJL Bernardes
– Chem Commun (Camb)
(2019)
Recent Advances in Minisci-Type Reactions.
RSJ Proctor, RJ Phipps
– Angewandte Chemie International Edition
(2019)
General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction
HGA Burton, AJW Thom
– Journal of chemical theory and computation
(2019)
acs.jctc.9b00441
The Structural Colors of Photonic Glasses
L Schertel, L Siedentop, JM Meijer, P Keim, CM Aegerter, GJ Aubry, G Maret
– Advanced Optical Materials
(2019)
7,
1900442
Simulating the climate response to atmospheric oxygen variability in the Phanerozoic: a focus on the Holocene, Cretaceous and Permian
DC Wader, NL Abraham, A Farnsworth, PJ Valdes, F Bragg, AT Archibald
– Climate of the Past
(2019)
15,
1463