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  • Currently displaying 5341 - 5360 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
Halogen Bonding Tetraphenylethene Anion Receptors: Anion‐Induced Emissive Aggregates and Photoswitchable Recognition
A Docker, X Shang, D Yuan, H Kuhn, Z Zhang, JJ Davis, PD Beer, MJ Langton
Angewandte Chemie International Edition
(2021)
60
Analysis of the Bio-oil Produced by the Hydrothermal Liquefaction of Biomass Using High-Resolution Mass Spectrometry and Isotope Exchange
Y Kostyukevich, S Osipenko, K Rindin, A Zherebker, O Kovaleva, L Rumiantseva, L Borisova, N Borisova, MS Vlaskin, E Nikolaev
Energy and Fuels
(2021)
35
Understanding the role of memory re-activation and cross-reactivity in the defense against SARS-CoV-2
V Denninger, CK Xu, G Meisl, AS Morgunov, S Fiedler, A Ilsley, M Emmenegger, AY Malik, MA Piziorska, MM Schneider, SRA Devenish, V Kosmoliaptsis, A Aguzzi, H Fiegler, TPJ Knowles
(2021)
Liquid-like chromatin in the cell: What can we learn from imaging and computational modeling?
R Collepardo Guevara, E Woods
Current opinion in structural biology
(2021)
71
Structural Insights into Notum Covalent Inhibition
Y Zhao, F Svensson, D Steadman, S Frew, A Monaghan, M Bictash, T Moreira, R Chalk, W Lu, PV Fish, EY Jones
Journal of medicinal chemistry
(2021)
64
Virtual Interactive Surgical Skills Classroom: Protocol for a Parallel-Group, Noninferiority, Adjudicator-Blinded, Randomized Controlled Trial (VIRTUAL).
A Nathan, M Fricker, S Patel, M Georgi, MK Hang, A Asif, A Sinha, W Mullins, J Shea, N Hanna, B Lamb, J Kelly, A Sridhar, J Collins
JMIR Res Protoc
(2021)
10
High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra.
E Karunaratne, DW Hill, P Pracht, JA Gascón, S Grimme, DF Grant
Analytical chemistry
(2021)
93
Different Folding States from the Same Protein Sequence Determine Reversible vs Irreversible Amyloid Fate.
Y Cao, J Adamcik, M Diener, JR Kumita, R Mezzenga
Journal of the American Chemical Society
(2021)
143
Suppression of the Hydrogen Evolution Reaction Is the Key: Selective Electrosynthesis of Formate from CO2 over Porous In55Cu45 Catalysts.
M Rahaman, K Kiran, I Zelocualtecatl Montiel, A Dutta, P Broekmann
ACS Applied Materials & Interfaces
(2021)
13
Towards efficient and accurate ab initio solutions to periodic systems via transcorrelation and coupled cluster theory
K Liao, T Schraivogel, H Luo, D Kats, A Alavi
Physical Review Research
(2021)
3
Cytosolic aggregation of mitochondrial proteins disrupts cellular homeostasis by stimulating the aggregation of other proteins
U Nowicka, P Chroscicki, K Stroobants, M Sladowska, M Turek, B Uszczynska-Ratajczak, R Kundra, T Goral, M Perni, CM Dobson, M Vendruscolo, A Chacinska
eLife
(2021)
10
Mechanistic study of enantioselective Pd-catalyzed C(sp3)-H activation of thioethers involving two distinct stereomodels.
TG Saint-Denis, NYS Lam, N Chekshin, PF Richardson, JS Chen, J Elleraas, KD Hesp, DC Schmitt, Y Lian, CW Huh, J-Q Yu
ACS Catalysis
(2021)
11
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
DP Kovacs, C van der Oord, J Kucera, A Allen, D Cole, C Ortner, G Csanyi
(2021)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
DP Kovacs, C van der Oord, J Kucera, A Allen, D Cole, C Ortner, G Csanyi
(2021)
Exploration of Long-Chain Vitamin e Metabolites for the Discovery of a Highly Potent, Orally Effective, and Metabolically Stable 5-LOX Inhibitor that Limits Inflammation
K Neukirch, K Alsabil, C-P Dinh, R Bilancia, M Raasch, A Ville, I Cerqua, G Viault, D Bréard, S Pace, V Temml, E Brunner, PM Jordan, MC Marques, K Loeser, A Gollowitzer, S Permann, J Gerstmeier, S Lorkowski, H Stuppner, U Garscha, T Rodrigues, GJL Bernardes, D Schuster, D Séraphin, P Richomme, A Rossi, AS Mosig, F Roviezzo, O Werz, J-J Helesbeux, A Koeberle
J Med Chem
(2021)
64
Multi-stage Ensemble-learning-based Model Fusion for Surface Ozone Simulations: A Focus on CMIP6 Models
Z Sun, A Archibald
(2021)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
DP Kovacs, C van der Oord, J Kucera, A Allen, D Cole, C Ortner, G Csanyi
(2021)
Machine learning potentials for extended systems: a perspective
J Behler, G Csányi
The European Physical Journal B
(2021)
94
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
DP Kovacs, C van der Oord, J Kucera, A Allen, D Cole, C Ortner, G Csanyi
(2021)
Polymerization of Allenes by Using an Iron(II) β‐Diketiminate Pre‐Catalyst to Generate High Mn Polymers
CR Woof, DJ Durand, RL Webster
Chemistry - A European Journal
(2021)
27