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Currently displaying 161 - 180 of 27867 publications

On the Global Minimum of the Classical Potential Energy for Clusters Bound by Many-Body Forces

MKH Kiessling, DJ Wales

– Journal of Statistical Physics

(2024)

191,

(doi: 10.1007/s10955-023-03215-2)

Controlling the Superconductivity of Nb2PdxS5 via Reversible Li Intercalation.

M Elgaml, S Dey, J Cen, M Avdeev, DO Scanlon, CP Grey, SJ Clarke

– Inorganic Chemistry

(2024)

63,

1151

(doi: 10.1021/acs.inorgchem.3c03524)

From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability

S Seal, J Carreras-Puigvert, S Singh, AE Carpenter, O Spjuth, A Bender

– Molecular biology of the cell

(2024)

35,

mr2

(doi: 10.1091/mbc.E23-08-0298)

Combining experiment and energy landscapes to explore anaerobic heme breakdown in multifunctional hemoproteins

AD Keith, EB Sawyer, DCY Choy, Y Xie, GS Biggs, OJ Klein, PD Brear, DJ Wales, PD Barker

– Physical chemistry chemical physics : PCCP

(2024)

26,

695

(doi: 10.1039/d3cp03897a)

The Design, Synthesis and in vitro Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Degradation of Protein Arginine Methyltransferase 1

P Martin

(2024)

(doi: 10.17863/CAM.107687)

Chemical Reaction Dynamics under Vibrational Strong Coupling

AC Hunt

(2024)

(link to publication)

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

(2024)

(doi: 10.1039/d3cb00176h)

Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)

MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales

– Digital Discovery

(2024)

637

(doi: 10.1039/d3dd00204g)

Efficient automated solid-phase synthesis of recognition-encoded melamine oligomers

M Dhiman, R Cabot, C Hunter

– Chemical Science

(2024)

(doi: 10.1039/d4sc00973h)

Efficient automated solid-phase synthesis of recognition-encoded melamine oligomers

M Dhiman, R Cabot, CA Hunter

– Chemical Science

(2024)

(doi: 10.1039/d4sc00973h)

Electrostatic [FeFe]-hydrogenase–carbon nitride assemblies for efficient solar hydrogen production

Y Liu, C Pulignani, S Webb, SJ Cobb, S Rodríguez-Jiménez, D Kim, RD Milton, E Reisner

– Chemical Science

(2024)

(doi: 10.1039/d4sc00640b)

Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene

D Strauch, P Weiner, BB Sarma, A Körner, E Herzinger, P Wolf, A Zimina, A Hutzler, DE Doronkin, JD Grunwaldt, P Wasserscheid, M Wolf

– Catalysis Science and Technology

(2024)

14,

1775

(doi: 10.1039/d3cy01336g)

Efficient and highly biocompatible 8-arm PEG-Chlorin e6 nanosystems for 2-photon photodynamic therapy of adrenergic disorders

NS Potter, Z Wang, EC Bornowski, SD Swanson, JP Wolfe, A McLean, R Kopelman

– Materials Advances

(2024)

1736

(doi: 10.1039/d3ma00812f)

Spiers Memorial Lecture: Lithium air batteries – tracking function and failure

JB Fritzke, JHJ Ellison, L Brazel, G Horwitz, S Menkin, CP Grey

– Faraday Discussions

(2024)

248,

(doi: 10.1039/d3fd00154g)

Molecular mechanism of α-synuclein aggregation on lipid membranes revealed

AJ Dear, X Teng, SR Ball, J Lewin, RI Horne, D Clow, A Stevenson, N Harper, K Yahya, X Yang, SC Brewerton, J Thomson, TCT Michaels, S Linse, TPJ Knowles, J Habchi, G Meisl

– Chemical Science

(2024)

(doi: 10.1039/d3sc05661a)

An atomic surface site interaction point description of non-covalent interactions

MC Storer, KJ Zator, DP Reynolds, CA Hunter

– Chemical Science

(2024)

15,

160

(doi: 10.1039/d3sc05690b)

Understanding improved capacity retention at 4.3 V in modified single crystal Ni-rich NMC//graphite pouch cells at elevated temperature

GJ Páez Fajardo, M Belekoukia, S Bolloju, E Fiamegkou, AS Menon, Z Ruff, Z Shen, N Shah, E Björklund, MJ Zuba, T-L Lee, PK Thakur, RS Weatherup, A Aguadero, MJ Loveridge, CP Grey, LFJ Piper

– RSC Applied Interfaces

(2024)

133

(doi: 10.1039/d3lf00093a)

Evaluation of ketoclomazone and its analogues as inhibitors of 1-deoxy-d-xylulose 5-phosphate synthases and other thiamine diphosphate (ThDP)-dependent enzymes

AHY Chan, TCS Ho, I Fathoni, R Hamid, AKH Hirsch, KJ Saliba, FJ Leeper

– RSC Medicinal Chemistry

(2024)

(doi: 10.1039/d4md00083h)