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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

(DOI: 10.1038/s41467-018-07699-5)

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

(DOI: 10.1002/ejoc.201900847)

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,

(DOI: 10.1002/cpch.73)

A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction

HGA Burton, AJW Thom

– J Chem Theory Comput

(2019)

(DOI: 10.1021/acs.jctc.9b00441)

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)

(DOI: 10.1039/c9ob01745c)

Finite field formalism for bulk electrolyte solutions

SJ Cox, M Sprik

– Journal of Chemical Physics

(2019)

151,

064506

(DOI: 10.1063/1.5099207)

PT-Symmetry in Hartree--Fock Theory

HGA Burton, AJW Thom, P-F Loos

– Journal of Chemical Theory and Computation

(2019)

15,

4374

(DOI: 10.1021/acs.jctc.9b00289)

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

(DOI: 10.1021/acs.jpclett.9b01960)

Cleavable linkers in antibody-drug conjugates.

JD Bargh, A Isidro-Llobet, JS Parker, DR Spring

– Chem Soc Rev

(2019)

48,

4361

(DOI: 10.1039/c8cs00676h)

Phase behaviour of empirical potentials of titanium dioxide

A Reinhardt

– Journal of Chemical Physics

(2019)

151,

064505

(DOI: 10.1063/1.5115161)

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)

(DOI: 10.1101/729392)

Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation

SR Adusumalli, GJL Bernardes

– Chem

(2019)

1932

(DOI: 10.1016/j.chempr.2019.07.014)

Path-integral dynamics of water using curvilinear centroids

G Trenins, MJ Willatt, SC Althorpe

– Journal of Chemical Physics

(2019)

151,

054109

(DOI: 10.1063/1.5100587)

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)

(DOI: 10.7554/eLife.46112)

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

(DOI: 10.1039/c9cc04250d)

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