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  • Currently displaying 2441 - 2460 of 30438 publications
Author(s)
Publication title
Journal Name
Publication year
MAVEN: compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny
L Hosseini-Gerami, R Hernansaiz Ballesteros, A Liu, H Broughton, DA Collier, A Bender
BMC Bioinformatics
(2023)
24
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A.
C Olivieri, Y Wang, C Walker, MV Subrahmanian, KN Ha, DA Bernlohr, J Gao, C Camilloni, M Vendruscolo, SS Taylor, G Veglia
bioRxiv
(2023)
4
Methyl radical chemistry in non-oxidative methane activation over metal single sites.
X Huang, D Eggart, G Qin, BB Sarma, A Gaur, J Yang, Y Pan, M Li, J Hao, H Yu, A Zimina, X Guo, J Xiao, J-D Grunwaldt, X Pan, X Bao
Nat Commun
(2023)
14
Asymmetrically Functionalized Electron‐Deficient π‐Conjugated System for Printed Single‐Crystalline Organic Electronics
CP Yu, S Kumagai, M Tsutsumi, T Kurosawa, H Ishii, G Watanabe, D Hashizume, H Sugiura, Y Tani, T Ise, T Watanabe, H Sato, J Takeya, T Okamoto
Advanced Science
(2023)
10
Weakening of springtime Arctic ozone depletion with climate change
M Friedel, G Chiodo, T Sukhodolov, J Keeble, T Peter, S Seeber, A Stenke, H Akiyoshi, E Rozanov, D Plummer, P Jöckel, G Zeng, O Morgenstern, B Josse
Atmospheric Chemistry and Physics
(2023)
23
Platinum-based nanodendrites as glucose oxidase-mimicking surrogates
JI Garcia-Peiro, J Bonet-Aleta, ML Tamayo-Fraile, JL Hueso, J Santamaria
Nanoscale
(2023)
15
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid- β
Z Toprakcioglu, AK Jayaram, TPJ Knowles
(2023)
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model
KM Herman, AJ Stone, SS Xantheas
Journal of chemical theory and computation
(2023)
19
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
S Oswald, M Bock, HA Gasteiger
Journal of The Electrochemical Society
(2023)
170
Energy landscapes for proteins described by the UNRES coarse-grained potential.
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
Biophys Chem
(2023)
303
Global analysis of energy landscapes for materials modeling: A test case for C60
G Csányi, JWR Morgan, DJ Wales
The Journal of Chemical Physics
(2023)
159
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
Journal of hazardous materials
(2023)
460
Mixed titanium/tin vacancy-ordered double perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br)
S Liga, SR Kavanagh, A Walsh, DO Scanlon, G Konstantatos
(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
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, DM Wilkins
J Phys Chem Lett
(2023)
14
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
J Am Chem Soc
(2023)
145
Guanidyl-Rich Poly(β Amino Ester)s for Universal Functional Cytosolic Protein Delivery and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) Cas9 Ribonucleoprotein Based Gene Editing
X Wang, Y Li, X Wang, DM Sandoval, Z He, S A, IL Sáez, W Wang
ACS nano
(2023)
17
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB Discov
(2023)
4
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
DMC Ould, S Menkin, HE Smith, V Riesgo‐González, TH Smith, MNB Chinn, E Jónsson, AD Bond, CP Grey, DS Wright
ChemElectroChem
(2023)
11