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Currently displaying 3321 - 3340 of 30289 publications

Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT

BX Shi, RJ Nicholls, JR Yates

(2022)

Chemical bonds in collagen rupture selectively under tensile stress

J Rowe, K Röder

(2022)

(doi: 10.1101/2022.09.23.509192)

Publisher's Note: "A classical model for three-body interactions in aqueous ionic systems" [J. Chem. Phys. 157, 024101 (2022)].

KM Herman, AJ Stone, SS Xantheas

Journal of Chemical Physics

(2022)

157

129903

(doi: 10.1063/5.0123910)

A review of biomedical datasets relating to drug discovery: a knowledge graph perspective

S Bonner, IP Barrett, C Ye, R Swiers, O Engkvist, A Bender, CT Hoyt, WL Hamilton

Brief Bioinform

(2022)

bbac404

(doi: 10.1093/bib/bbac404)

Metal Coordination Effects on the Photophysics of Dipyrrinato Photosensitizers

PCP Teeuwen, Z Melissari, MO Senge, RM Williams

(2022)

(doi: 10.20944/preprints202209.0363.v1)

Onset potential for electrolyte oxidation and Ni-rich cathode degradation in lithium-ion batteries

C Grey, W Dose, W Li, I Temprano, C O'Keefe, BL Mehdi, MFL De Volder

ACS Energy Letters

(2022)

3524

(doi: 10.1021/acsenergylett.2c01722)

An antibody scanning method for the detection of α-synuclein oligomers in the serum of Parkinson's disease patients.

K Kulenkampff, D Emin, R Staats, YP Zhang, L Sakhnini, A Kouli, O Rimon, E Lobanova, CH Williams-Gray, FA Aprile, P Sormanni, D Klenerman, M Vendruscolo

Chem Sci

(2022)

13815

(doi: 10.1039/d2sc00066k)

Protein condensation diseases: therapeutic opportunities

M Vendruscolo, M Fuxreiter

Nat Commun

(2022)

5550

(doi: 10.1038/s41467-022-32940-7)

Metabolic acids impact bone mineral maturation

Y Li, R Li, DG Reid, JT Lunn, KH Müller, D Laurencin, C Bonhomme, EA Ossa, NAJM Sommerdijk, MJ Duer

(2022)

(doi: 10.1101/2022.09.21.508894)

Evaluating Long-Term Variability of the Arctic Stratospheric Polar Vortex Simulated by CMIP6 Models

S Zhao, J Zhang, C Zhang, M Xu, J Keeble, Z Wang, X Xia

Remote Sensing

(2022)

4701

(doi: 10.3390/rs14194701)

The ozone–climate penalty over South America and Africa by 2100

F Brown, GA Folberth, S Sitch, S Bauer, M Bauters, P Boeckx, AW Cheesman, M Deushi, I Dos Santos Vieira, C Galy-Lacaux, J Haywood, J Keeble, LM Mercado, FM O'Connor, N Oshima, K Tsigaridis, H Verbeeck

Atmospheric Chemistry and Physics

(2022)

12331

(doi: 10.5194/acp-22-12331-2022)

Influence of denaturants on amyloid β42 aggregation kinetics

T Weiffert, G Meisl, S Curk, R Cukalevski, A Šarić, TPJ Knowles, S Linse

Front Neurosci

(2022)

943355

(doi: 10.3389/fnins.2022.943355)

Label-free monitoring of proteins in optofluidic hollow-core photonic crystal fibres.

J Heck, E Miele, R Mouthaan, M Frosz, T Knowles, T Euser

Methods Appl Fluoresc

(2022)

045008

(doi: 10.1088/2050-6120/ac9113)

Small soluble α-synuclein aggregates are the toxic species in Parkinson’s disease

D Emin, YP Zhang, E Lobanova, A Miller, X Li, Z Xia, H Dakin, DI Sideris, JYL Lam, RT Ranasinghe, A Kouli, Y Zhao, S De, TPJ Knowles, M Vendruscolo, FS Ruggeri, FI Aigbirhio, CH Williams-Gray, D Klenerman

Nature Communications

(2022)

5512

(doi: 10.1038/s41467-022-33252-6)

Oxidative Cleavage of Vicinal Diols Catalyzed by Monomeric Fe‐Sites Inside MFI Zeolite

P Treu, BB Sarma, J Grunwaldt, E Saraçi

Chemcatchem

(2022)

e202200993

(doi: 10.1002/cctc.202200993)

Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods.

P Pracht, C Bannwarth