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Currently displaying 3041 - 3060 of 31130 publications

Energy Landscapes and Heat Capacity Signatures for Monomers and Dimers of Amyloid-Forming Hexapeptides.

Nicy, DJ Wales

International journal of molecular sciences

(2023)

10613

(doi: 10.3390/ijms241310613)

Evolution of $K$-means solution landscapes with the addition of dataset outliers and a robust clustering comparison measure for their analysis

L Dicks, DJ Wales

(2023)

Correlating activity and defects in (photo)electrocatalysts using in-situ transient optical microscopy

CA Mesa, M Sachs, E Pastor, N Gauriot, AJ Merryweather, MA Gomez-Gonzalez, K Ignatyev, S Giménez, A Rao, JR Durrant, R Pandya

(2023)

(doi: 10.48550/arxiv.2306.13401)

Machine Learning Force Field for Molecular Liquids: EC/EMC Binary Solvent

I-B Magdău, DJ Arismendi-Arrieta, HE Smith, CP Grey, K Hermansson, G Csányi

(2023)

(doi: 10.26434/chemrxiv-2022-l4tb9-v2)

The limit of macroscopic homogeneous ice nucleation at the nanoscale

JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox

(2023)

Unveiling the role of G-quadruplex structure in promoter region: Regulation of ABCA1 expression in macrophages possibly via NONO protein recruitment

C-D Xiao, M-H Jia, M-Q Zhong, Y Xu, Z-T Yu, Z-Y He, X Lu, Y Zhang, X Zhou, L-Y Fu, X-C Shen

Int J Biol Macromol

(2023)

245

125443

(doi: 10.1016/j.ijbiomac.2023.125443)

Self-Consistent Chemical Pressure Analysis: Resolving Atomic Packing Effects through the Iterative Partitioning of Space and Energy

KM Sanders, JS Van Buskirk, KP Hilleke, DC Fredrickson

Journal of Chemical Theory and Computation

(2023)

4273

(doi: 10.1021/acs.jctc.3c00368)

Microscopic Origin of Electrochemical Capacitance in Metal-Organic Frameworks

S-J Shin, JW Gittins, MJ Golomb, AC Forse, A Walsh

Journal of the American Chemical Society

(2023)

145

14529

(doi: 10.1021/jacs.3c04625)

Positional influence on cellular transcriptional identity revealed through spatially segmented single-cell transcriptomics

DB Morse, AM Michalowski, M Ceribelli, J De Jonghe, M Vias, D Riley, T Davies-Hill, T Voss, S Pittaluga, C Muus, J Liu, S Boyle, DA Weitz, JD Brenton, JD Buenrostro, TPJ Knowles, CJ Thomas

Cell systems

(2023)

464

(doi: 10.1016/j.cels.2023.05.003)