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  • Currently displaying 6161 - 6180 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields
D Furman, DJ Wales
J Phys Chem Lett
(2019)
10
Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors
M Sabbah, V Mendes, RG Vistal, DMG Dias, J Korduláková, K Mikušová, A Coyne, TL Blundell, C Abell
(2019)
Correction to: 4-Repeat tau seeds and templating subtypes as brain and CSF biomarkers of frontotemporal lobar degeneration.
E Saijo, MA Metrick, S Koga, P Parchi, I Litvan, S Spina, A Boxer, JC Rojas, D Galasko, A Kraus, M Rossi, K Newell, G Zanusso, LT Grinberg, WW Seeley, B Ghetti, DW Dickson, B Caughey
Acta Neuropathologica
(2019)
139
Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy
M Hutereau, P Banks, B Slater, JA Zeitler, A Bond, M Ruggiero
(2019)
A Simple Molecular Design Strategy for Delayed Fluorescence toward 1000 nm
DG Congrave, BH Drummond, PJ Conaghan, H Francis, STE Jones, CP Grey, NC Greenham, D Credgington, H Bronstein
Journal of the American Chemical Society
(2019)
141
Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy
M Hutereau, P Banks, B Slater, JA Zeitler, A Bond, M Ruggiero
(2019)
Structural Basis for the Allosteric Regulation of the SbtA Bicarbonate Transporter by the PII-like Protein, SbtB, from Cyanobium sp. PCC7001.
JA Kaczmarski, N-S Hong, B Mukherjee, LT Wey, L Rourke, B Förster, TS Peat, GD Price, CJ Jackson
Biochemistry
(2019)
58
Host-Guest Chemistry Meets Electrocatalysis: Cucurbit[6]uril on a Au Surface as a Hybrid System in CO2 Reduction.
A Wagner, KH Ly, N Heidary, I Szabó, T Földes, KI Assaf, SJ Barrow, K SokoĊ‚owski, M Al-Hada, N Kornienko, MF Kuehnel, E Rosta, I Zebger, WM Nau, OA Scherman, E Reisner
ACS Catal
(2019)
10
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
C Schran, J Behler, D Marx
Journal of chemical theory and computation
(2019)
16
Chemoenzymatic Total Synthesis of Sorbicatechol Structural Analogues and Evaluation of Their Antiviral Potential
A Sib, TM Milzarek, A Herrmann, L Oubraham, JI Müller, A Pichlmair, R Brack-Werner, TAM Gulder
Chembiochem
(2019)
21
Supersaturated proteins are enriched at synapses and underlie cell and tissue vulnerability in Alzheimer's disease
R Freer, P Sormanni, P Ciryam, B Rammner, SO Rizzoli, CM Dobson, M Vendruscolo
Heliyon
(2019)
5
A Unified Total Synthesis of the Actinoallolides, a Family of Potent Anti-trypanosomal Macrolides
MJ Anketell, TM Sharrock, I Paterson
Angewandte Chemie (International ed. in English)
(2019)
59
Structural Color of Colloidal Clusters as a Tool to Investigate Structure and Dynamics
J Wang, U Sultan, ESA Goerlitzer, CF Mbah, M Engel, N Vogel
Advanced Functional Materials
(2019)
30
Label-Free Analysis of Protein Aggregation and Phase Behavior.
Z Toprakcioglu, P Challa, C Xu, TPJ Knowles
ACS Nano
(2019)
13
AhR Agonist Activity Confirmation of Polyhalogenated Carbazoles (PHCZs) Using an Integration of in Vitro, in Vivo, and in Silico Models
C Ji, C Shen, Y Zhou, K Zhu, Z Sun, Z Zuo, M Zhao
Environmental science & technology
(2019)
53
Novel Small Molecules Targeting the Intrinsically Disordered Structural Ensemble of α-Synuclein Protect Against Diverse α-Synuclein Mediated Dysfunctions
G Tóth, T Neumann, A Berthet, E Masliah, B Spencer, J Tao, MF Jobling, SJ Gardai, CW Bertoncini, N Cremades, M Bova, S Ballaron, X-H Chen, W Mao, P Nguyen, MC Tabios, MA Tambe, J-C Rochet, H-D Junker, D Schwizer, R Sekul, I Ott, JP Anderson, B Szoke, W Hoffman, J Christodoulou, T Yednock, DA Agard, D Schenk, L McConlogue
Scientific Reports
(2019)
9
Selective Separation of Polyaromatic Hydrocarbons by Phase Transfer of Coordination Cages
D Zhang, TK Ronson, R Lavendomme, JR Nitschke
Journal of the American Chemical Society
(2019)
141
GLP-1R is downregulated in beta cells of NOD mice and T1D patients
A Recino, K Barkan, A Schmidt-Christensen, J Nilsson, N Holmes, D Howie, D Holmberg, P Larsson, M Flodström-Tullberg, L Laraia, DR Spring, J Hecksher-Sørensen, A Cooke, G Ladds, M Wållberg
(2019)
Structural transitions in the RNA 7SK 5' hairpin and their effect on HEXIM binding.
K Röder, G Stirnemann, A-C Dock-Bregeon, DJ Wales, S Pasquali
Nucleic acids research
(2019)
48
Dissolved carbon monoxide concentration monitoring platform based on direct electrical connection of CO dehydrogenase with electrically accessible surface structure.
SS Reginald, H Lee, YS Lee, M Yasin, IS Chang
Bioresource technology
(2019)
297