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  • Currently displaying 1641 - 1660 of 29849 publications
Author(s)
Publication title
Journal Name
Publication year
Machine Learning Nucleation Collective Variables with Graph Neural Networks.
FM Dietrich, XR Advincula, G Gobbo, MA Bellucci, M Salvalaglio
Journal of Chemical Theory and Computation
(2023)
20
Molecular Dynamics: Investigating the Self-Association of Stearic Acid and Heteroassociation of Stearic Acid-Water in Cyclohexane.
N Sharifi
ACS Omega
(2023)
8
Atmospheric composition and climate impacts of a future hydrogen economy
NJ Warwick, AT Archibald, PT Griffiths, J Keeble, FM O'Connor, JA Pyle, KP Shine
Atmospheric Chemistry and Physics
(2023)
23
Catalytic, asymmetric carbon-nitrogen bond formation using metal nitrenoids: from metal-ligand complexes via metalloporphyrins to enzymes.
A Fanourakis, RJ Phipps
Chemical Science
(2023)
14
Replication of synthetic recognition-encoded oligomers by ligation of trimer building blocks
D Núñez-Villanueva, CA Hunter
Organic chemistry frontiers : an international journal of organic chemistry
(2023)
10
Exploring the parameter space of an endohedral atom in a cylindrical cavity.
K Panchagnula, AJW Thom
The Journal of Chemical Physics
(2023)
159
Microfluidic antibody profiling after repeated SARS-CoV-2 vaccination links antibody affinity and concentration to impaired immunity and variant escape in patients on anti-CD-20 therapy
A Priddey, MXH Chen-Xu, DJ Cooper, S MacMillan, G Meisl, CK Xu, M Hosmillo, IG Goodfellow, R Kollyfas, R Doffinger, JR Bradley, II Mohorianu, R Jones, TPJ Knowles, R Smith, V Kosmoliaptsis
(2023)
De novo design of knotted tandem repeat proteins
LA Doyle, B Takushi, RD Kibler, LF Milles, CT Orozco, JD Jones, SE Jackson, BL Stoddard, P Bradley
Nature Communications
(2023)
14
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
AJ Dear, X Teng, SR Ball, J Lewin, RI Horne, D Clow, N Harper, K Yahya, TCT Michaels, S Linse, TPJ Knowles, X Yang, SC Brewerton, J Thomson, J Habchi, G Meisl
(2023)
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
The Journal of Chemical Physics
(2023)
159
Thesis Access Confirmation Form
Y Hu
(2023)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
Chem Sci
(2023)
14
Red-light modulated ortho-chloro azobenzene photoswitch for peptide stapling via aromatic substitution
M Kapun, FJ Pérez-Areales, N Ashman, PJE Rowling, T Schober, E Fowler, LS Itzhaki, DR Spring
Rsc Chemical Biology
(2023)
5
Exploiting the Catenane Mechanical Bond Effect for Selective Halide Anion Transmembrane Transport.
H Min Tay, TG Johnson, A Docker, MJ Langton, PD Beer
Angewandte Chemie International Edition
(2023)
62
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank.
S Seal, O Spjuth, L Hosseini-Gerami, M García-Ortegón, S Singh, A Bender, AE Carpenter
(2023)
Scientific Machine Learning of 2D Perovskite Nanosheet Formation.
JC Dahl, S Niblett, Y Cho, X Wang, Y Zhang, EM Chan, AP Alivisatos
Journal of the American Chemical Society
(2023)
145
Importance of electronic correlations in exploring the exotic phase diagram of layered LixMnO2
H Banerjee, CP Grey, AJ Morris
Physical Review B
(2023)
108
Morphology-Dependent Investigation of Li-ion Insertion into Single Crystal Hematite α-Fe2O3 Nanostructures
MA Zabara, B Ölmez, SA Gürsel, A Yürüm
Journal of Physical Chemistry C
(2023)
127
An automated single-molecule FRET platform for high-content, multiwell plate screening of biomolecular conformations and dynamics.
A Hartmann, K Sreenivasa, M Schenkel, N Chamachi, P Schake, G Krainer, M Schlierf
Nature Communications
(2023)
14
Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4
B Mercadier, SW Coles, M Duttine, C Legein, M Body, OJ Borkiewicz, O Lebedev, BJ Morgan, C Masquelier, D Dambournet
Journal of the American Chemical Society
(2023)
145