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  • Currently displaying 3021 - 3040 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
An accurate and transferable machine learning potential for carbon (voL 153, 034702, 2020)
P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides
J Chem Phys
(2022)
156
The Limited Palette for Photonic Block-Copolymer Materials: A Historical Problem or a Practical Limitation?
Z Wang, CLC Chan, RM Parker, S Vignolini
Angew Chem Weinheim Bergstr Ger
(2022)
134
Squalamine and trodusquemine: two natural products for neurodegenerative diseases, from physical chemistry to the clinic
R Limbocker, S Errico, D Barbut, TPJ Knowles, M Vendruscolo, F Chiti, M Zasloff
Natural Product Reports
(2022)
39
Cohort-based long-term ozone exposure-associated mortality risks with adjusted metrics: A systematic review and meta-analysis.
HZ Sun, P Yu, C Lan, MWL Wan, S Hickman, J Murulitharan, H Shen, L Yuan, Y Guo, AT Archibald
Innovation (Cambridge (Mass.))
(2022)
3
On the capacity and superposition of minima in neural network loss function landscapes
MP Niroomand, JWR Morgan, CT Cafolla, DJ Wales
Machine Learning Science and Technology
(2022)
3
Physico-Chemical Characterisation of Disease-Related Protein-Protein Interactions in Solution
M Schneider
(2022)
Crystal Forms of the Antihypertensive Drug Irbesartan: A Crystallographic, Spectroscopic, and Hirshfeld Surface Analysis Investigation
AM Araya-Sibaja, C Fandaruff, AM Guevara-Camargo, F Vargas-Huertas, WJ Zamora, JR Vega-Baudrit, T Guillén-Girón, M Navarro-Hoyos, P Paoli, P Rossi, W Jones
ACS omega
(2022)
7
Making the most of data: Quantum Monte Carlo postanalysis revisited
T Ichibha, VA Neufeld, K Hongo, R Maezono, AJW Thom
Physical review. E
(2022)
105
Perpendicular and Parallel Phase Separation in Two Species Driven Diffusive Lattice Gases
H Yu, K Thijssen, RL Jack
(2022)
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field.
EM Christlmaier, D Kats, A Alavi, D Usvyat
J Chem Phys
(2022)
156
Beyond Platonic: How to Build Metal–Organic Polyhedra Capable of Binding Low-Symmetry, Information-Rich Molecular Cargoes
CT McTernan, JA Davies, JR Nitschke
Chemical reviews
(2022)
122
Ibrutinib Inhibits BMX-Dependent Endothelial VCAM-1 Expression In Vitro and Pro-Atherosclerotic Endothelial Activation and Platelet Adhesion In Vivo.
TCL Kohs, SR Olson, J Pang, KR Jordan, TJ Zheng, A Xie, J Hodovan, M Muller, C McArthur, J Johnson, BB Sousa, M Wallisch, P Kievit, JE Aslan, JD Seixas, GJL Bernardes, MT Hinds, JR Lindner, OJT McCarty, C Puy, JJ Shatzel
Cell Mol Bioeng
(2022)
15
Thermodynamically Driven Synthetic Optimization for Cation‐Disordered Rock Salt Cathodes
Z Cai, Y Zhang, Z Lun, B Ouyang, LC Gallington, Y Sun, H Hau, Y Chen, MC Scott, G Ceder
Advanced Energy Materials
(2022)
12
A Kinetic Map of the Influence of Biomimetic Lipid Membrane Models on Aβ42Aggregation
KN Baumann, M Sanguanini, O Rimon, G Šneiderienė, H Greer, D Thacker, M Schneider, S Linse, TPJ Knowles, M Vendruscolo
(2022)
resPAINT: Accelerating volumetric super-resolution localisation microscopy by active control of probe emission
EW Sanders, AR Carr, E Bruggeman, M Koerbel, SI Benaissa, RF Donat, AM Santos, J McColl, K O’Holleran, D Klenerman, SJ Davis, SF Lee, A Ponjavic
(2022)
Energy Landscapes for Base-Flipping in a Model DNA Duplex.
Nicy, D Chakraborty, DJ Wales
The Journal of Physical Chemistry B
(2022)
126
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
M Thomas, NM O'Boyle, A Bender, C de Graaf
(2022)
A nano-magnetic size selective cfDNA extraction platform for liquid biopsy with enhanced precision.
Y Liu, L Cheng, G Wang, J Lv, Y He, P-L Shao, R Hu, H Xiao, J Tang, D Niu, J Yang, Z Tang, Z Xu, Y Liu, Y Li, K Song, B Wu, B Zhang
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
(2022)
1199
Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility
Y Fu, A Forse, Z Kang, M Cliffe, W Cao, J Yin, L Gao, Z Pang, T He, Q Chen, Q Wang, J Long, J Reimer, X Kong
(2022)
Hidden information on protein function in censuses of proteome foldedness.
D Cox, C-S Ang, NB Nillegoda, GE Reid, DM Hatters
Nature communications
(2022)
13