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  • Currently displaying 5221 - 5240 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
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
Modelling the macroeconomics of a ‘closing the green finance gap’ scenario for an energy transition
S Hafner, A Jones, A Anger-Kraavi, I Monasterolo
Environmental Innovation and Societal Transitions
(2021)
40
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
A Bender
TOXICOLOGY LETTERS
(2021)
350
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
D Basili, B Chambers, M Liddell, J Houghton, A White, I Shah, A Middleton, A Bender
TOXICOLOGY LETTERS
(2021)
350
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
TJ Aubry, S Engwell, C Bonadonna, G Carazzo, S Scollo, AR Van Eaton, IA Taylor, D Jessop, J Eychenne, M Gouhier, LG Mastin, KL Wallace, S Biass, M Bursik, RG Grainger, AM Jellinek, A Schmidt
Journal of Volcanology and Geothermal Research
(2021)
417
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
AD Keith
(2021)
Thermodynamic Characterisation of Amyloid Fibrils
KL Callaghan
(2021)
Small Molecule Approaches Towards Targeted RNA degradation
S Mikutis
(2021)
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 ed. in English)
(2021)
60
Thermodynamics and kinetics of crystallisation in deeply supercooled Stillinger-Weber silicon
Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry
(2021)
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
Mol Psychiatry
(2021)
26
Evaluating the performance of a clinical genome sequencing program for diagnosis of rare genetic disease, seen through the lens of craniosynostosis.
Z Hyder, E Calpena, Y Pei, RS Tooze, H Brittain, SRF Twigg, D Cilliers, JEV Morton, E McCann, A Weber, LC Wilson, AGL Douglas, R McGowan, A Need, A Bond, ALT Tavares, ERA Thomas, Genomics England Research Consortium, SL Hill, ZC Deans, F Boardman-Pretty, M Caulfield, RH Scott, AOM Wilkie
Genetics in medicine : official journal of the American College of Medical Genetics
(2021)
23
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
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)
Supplementary material to "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)
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
Predicting polarizabilities of silicon clusters using local chemical environments
MG Zauchner, SD Forno, G Cśanyi, A Horsfield, J Lischner
(2021)
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ML Evans, Á Fekete, A Gopakumar, S Gražulis, A Merkys, F Mohamed, C Oses, G Pizzi, G-M Rignanese, M Scheidgen, L Talirz, C Toher, D Winston, R Aversa, K Choudhary, P Colinet, S Curtarolo, D Di Stefano, C Draxl, S Er, M Esters, M Fornari, M Giantomassi, M Govoni, G Hautier, V Hegde, MK Horton, P Huck, G Huhs, J Hummelshøj, A Kariryaa, B Kozinsky, S Kumbhar, M Liu, N Marzari, AJ Morris, A Mostofi, KA Persson, G Petretto, T Purcell, F Ricci, F Rose, M Scheffler, D Speckhard, M Uhrin, A Vaitkus, P Villars, D Waroquiers, C Wolverton, M Wu, X Yang
(2021)
High-Throughput Selection and Characterisation of Aptamers on Optical Next-Generation Sequencers
A Drees, M Fischer
International journal of molecular sciences
(2021)
22