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  • Currently displaying 4101 - 4120 of 29680 publications
Author(s)
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Journal Name
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Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelžinytė, JM Goodman, PJ Russell, P Kukic, S Gutsell
Toxicology Letters
(2021)
350
Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition
A Docker, CH Guthrie, H Kuhn, PD Beer
Angewandte Chemie International Edition
(2021)
60
Visible light photocatalysts from low-grade iron ore; the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
M Periyasamy, S Sain, E Ghosh, KJ Jenkinson, AEH Wheatley, S Mukhopadhyay, A Kar
Environmental Science and Pollution Research
(2021)
29
The Amyloid-β Pathway in Alzheimer's Disease
H Hampel, J Hardy, K Blennow, C Chen, G Perry, SH Kim, VL Villemagne, P Aisen, M Vendruscolo, T Iwatsubo, CL Masters, M Cho, L Lannfelt, JL Cummings, A Vergallo
Molecular psychiatry
(2021)
26
Automated and Continuous-Flow Platform to Analyze Semiconductor–Metal Complex Hybrid Systems for Photocatalytic CO2 Reduction
CD Sahm, GM Ucoski, S Roy, E Reisner
ACS Catalysis
(2021)
11
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
K Desboeufs, F Fu, M Bressac, A Tovar-Sánchez, S Triquet, J-F Doussin, C Giorio, P Chazette, J Disnaquet, A Feron, P Formenti, F Maisonneuve, A Rodríguez-Romero, P Zapf, F Dulac, C Guieu
(2021)
Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy.
FC Alimagham, D Hutter, N Marco-García, E Gould, VH Highland, A Huefner, S Giorgi-Coll, MJ Killen, AP Zakrzewska, SR Elliott, KLH Carpenter, PJ Hutchinson, T Hutter
Analytical Chemistry
(2021)
93
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
M Kölbach, C Özen, O Höhn, D Lackner, M Feifel, FF Abdi, MM May
APPLIED PHYSICS LETTERS
(2021)
119
High-Throughput Selection and Characterisation of Aptamers on Optical Next-Generation Sequencers
A Drees, M Fischer
Int J Mol Sci
(2021)
22
Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5
Y Huang, J Zhou, L Peng, K Li, SR Elliott, Z Sun
Journal of Physical Chemistry C
(2021)
125
Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR
JM Stratford, AK Kleppe, DS Keeble, PA Chater, SS Meysami, CJ Wright, J Barker, M-M Titirici, PK Allan, CP Grey
J Am Chem Soc
(2021)
143
Alpha Synuclein only Forms Fibrils In Vitro when Larger than its Critical Size of 70 Monomers
SE Sanchez, DR Whiten, G Meisl, FS Ruggeri, E Hidari, D Klenerman
ChemBioChem: a European journal of chemical biology
(2021)
22
Differential interaction with TREM2 modulates microglial uptake of modified Aβ species
P Joshi, F Riffel, K Satoh, M Enomoto, S Qamar, H Scheiblich, N Villacampa, S Kumar, S Theil, S Parhizkar, C Haass, MT Heneka, PE Fraser, P St George-Hyslop, J Walter
Glia
(2021)
69
Targeted modulation of protein liquid–liquid phase separation by evolution of amino-acid sequence
SM Lichtinger, A Garaizar, R Collepardo-Guevara, A Reinhardt
PLOS Computational Biology
(2021)
17
A 68-codon genetic code to incorporate four distinct non-canonical amino acids enabled by automated orthogonal mRNA design.
DL Dunkelmann, SB Oehm, AT Beattie, JW Chin
Nature chemistry
(2021)
13
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, P Pokhilko, AF White, MP Coons, AL Dempwolff, Z Gan, D Hait, PR Horn, LD Jacobson, I Kaliman, J Kussmann, AW Lange, KU Lao, DS Levine, J Liu, SC McKenzie, AF Morrison, KD Nanda, F Plasser, DR Rehn, ML Vidal, Z-Q You, Y Zhu, B Alam, BJ Albrecht, A Aldossary, E Alguire, JH Andersen, V Athavale, D Barton, K Begam, A Behn, N Bellonzi, YA Bernard, EJ Berquist, HGA Burton, A Carreras, K Carter-Fenk, R Chakraborty, AD Chien, KD Closser, V Cofer-Shabica, S Dasgupta, M de Wergifosse, J Deng, M Diedenhofen, H Do, S Ehlert, P-T Fang, S Fatehi, Q Feng, T Friedhoff, J Gayvert, Q Ge, G Gidofalvi, M Goldey, J Gomes, CE González-Espinoza, S Gulania, AO Gunina, MWD Hanson-Heine, PHP Harbach, A Hauser, MF Herbst, M Hernández Vera, M Hodecker, ZC Holden, S Houck, X Huang, K Hui, BC Huynh, M Ivanov, Á Jász, H Ji, H Jiang, B Kaduk, S Kähler, K Khistyaev, J Kim, G Kis, P Klunzinger, Z Koczor-Benda, JH Koh, D Kosenkov, L Koulias, T Kowalczyk, CM Krauter, K Kue, A Kunitsa, T Kus, I Ladjánszki, A Landau, KV Lawler, D Lefrancois, S Lehtola, RR Li, Y-P Li, J Liang, M Liebenthal, H-H Lin, Y-S Lin, F Liu, K-Y Liu, M Loipersberger, A Luenser, A Manjanath, P Manohar, E Mansoor, SF Manzer, S-P Mao, AV Marenich, T Markovich, S Mason, SA Maurer, PF McLaughlin, MFSJ Menger, J-M Mewes, SA Mewes, P Morgante, JW Mullinax, KJ Oosterbaan, G Paran, AC Paul, SK Paul, F Pavošević, Z Pei, S Prager, EI Proynov, Á Rák, E Ramos-Cordoba, B Rana, AE Rask, A Rettig, RM Richard, F Rob, E Rossomme, T Scheele, M Scheurer, M Schneider, N Sergueev, SM Sharada, W Skomorowski, DW Small, CJ Stein, Y-C Su, EJ Sundstrom, Z Tao, J Thirman, GJ Tornai, T Tsuchimochi, NM Tubman, SP Veccham, O Vydrov, J Wenzel, J Witte, A Yamada, K Yao, S Yeganeh, SR Yost, A Zech, IY Zhang, X Zhang, Y Zhang, D Zuev, A Aspuru-Guzik, AT Bell, NA Besley, KB Bravaya, BR Brooks, D Casanova, J-D Chai, S Coriani, CJ Cramer, G Cserey, AE DePrince, RA DiStasio, A Dreuw, BD Dunietz, TR Furlani, WA Goddard, S Hammes-Schiffer, T Head-Gordon, WJ Hehre, C-P Hsu, T-C Jagau, Y Jung, A Klamt, J Kong, DS Lambrecht, W Liang, NJ Mayhall, CW McCurdy, JB Neaton, C Ochsenfeld, JA Parkhill, R Peverati, VA Rassolov, Y Shao, LV Slipchenko, T Stauch, RP Steele, JE Subotnik, AJW Thom, A Tkatchenko, DG Truhlar, T Van Voorhis, TA Wesolowski, KB Whaley, HL Woodcock, PM Zimmerman, S Faraji, PMW Gill, M Head-Gordon, JM Herbert, AI Krylov
The Journal of Chemical Physics
(2021)
155
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging
MSC Gravett, RC Cocking, AP Curd, O Harlen, J Leng, SP Muench, M Peckham, DJ Read, JF Rogers, RC Welch, SA Harris
WIREs Computational Molecular Science
(2021)
12
Transmembrane signal transduction by cofactor transport
I Kocsis, Y Ding, NH Williams, CA Hunter
Chemical science
(2021)
12
Biomimetic Iron Complex Achieves TET Enzyme Reactivity**
D Schmidl, NSW Jonasson, E Korytiaková, T Carell, LJ Daumann
Angewandte Chemie
(2021)
133
Improvements to the representation of BVOC chemistry-climate interactions in UKCA (vn11.5) with the CRI-Strat 2 mechanism: Incorporation and Evaluation
J Weber, S Archer-Nicholls, NL Abraham, YM Shin, TJ Bannan, CJ Percival, A Bacak, P Artaxo, M Jenkin, MAH Khan, DE Shallcross, RH Schwantes, J Williams, AT Archibald
Geoscientific Model Development
(2021)
2021