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Currently displaying 1 - 20 of 22095 publications

Machine learning for target discovery in drug development

T Rodrigues, GJL Bernardes

– Current opinion in chemical biology

(2020)

56,

(DOI: 10.1016/j.cbpa.2019.10.003)

Exploiting air cushion effects to optimise a superhydrophobic/hydrophilic patterned liquid ring sealed air bearing

J Wen, T Reddyhoff, S Hu, D Puhan, D Dini

– Tribology International

(2020)

144,

106129

(DOI: 10.1016/j.triboint.2019.106129)

Formation of metal-organic ligand complexes affects solubility of metals in airborne particles at an urban site in the Po valley.

A Tapparo, V Di Marco, D Badocco, S D'Aronco, L Soldà, P Pastore, BM Mahon, M Kalberer, C Giorio

– Chemosphere

(2020)

241,

125025

(DOI: 10.1016/j.chemosphere.2019.125025)

Conformational Control in Main Group Phosphazane Anion Receptors and Transporters.

AJ Plajer, J Zhu, P Pröhm, FJ Rizzuto, UF Keyser, DS Wright

– Journal of the American Chemical Society

(2020)

142,

1029

(DOI: 10.1021/jacs.9b11347)

Structural evolution of fused silica below the glass-transition temperature revealed by in-situ neutron total scattering

Y Shi, D Ma, AP Song, B Wheaton, M Bauchy, SR Elliott

– Journal of Non-Crystalline Solids

(2020)

528,

119760

(DOI: 10.1016/j.jnoncrysol.2019.119760)

Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).

A Trapero, A Pacitto, DS-H Chan, C Abell, TL Blundell, DB Ascher, AG Coyne

– Bioorganic & Medicinal Chemistry Letters

(2020)

30,

126792

(DOI: 10.1016/j.bmcl.2019.126792)

The N-terminal Acetylation of α-Synuclein Changes the Affinity for Lipid Membranes but not the Structural Properties of the Bound State

M Runfola, A De Simone, M Vendruscolo, CM Dobson, G Fusco

– Scientific Reports

(2020)

10,

204

(DOI: 10.1038/s41598-019-57023-4)

Transparent films made of highly scattering particles

T Erdem, Y Lan, P Xu, Y Altıntas, T O'Neil, A Caciagli, C Ducati, E Mutlugun, OA Scherman, E Eiser

– Langmuir : the ACS journal of surfaces and colloids

(2020)

acs.langmuir.9b01014

(DOI: 10.1021/acs.langmuir.9b01014)

Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events

AJ Wedlake, M Folia, S Piechota, TEH Allen, JM Goodman, S Gutsell, PJ Russell

– Chemical Research in Toxicology

(2020)

acs.chemrestox.9b00325

(DOI: 10.1021/acs.chemrestox.9b00325)

The alchemical energy landscape for a pentameric cluster

JWR Morgan, SC Glotzer

– Journal of Chemical Physics

(2020)

152,

014106

(DOI: 10.1063/1.5130030)

Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing

A Ivanova, B Frka-Petesic, A Paul, T Wagner, AN Jumabekov, Y Vilk, J Weber, J Schmedt Auf der Günne, S Vignolini, M Tiemann, D Fattakhova-Rohlfing, T Bein

– ACS applied materials & interfaces

(2020)

acsami.9b11891

(DOI: 10.1021/acsami.9b11891)

Total synthesis and biological evaluation of simplified aplyronine analogues as synthetically tractable anticancer agents

TR Pettigrew, RJ Porter, SJ Walsh, MP Housden, NYS Lam, JS Carroll, JS Parker, DR Spring, I Paterson

– Chemical Communications

(2020)

(DOI: 10.1039/c9cc09050a)

Multi-scale electrolyte transport simulations for lithium ion batteries

F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, M Veit

– Journal of The Electrochemical Society

(2019)

167,

013522

(DOI: 10.1149/2.0222001jes)

Towards next generation therapies for cystic fibrosis: Folding, function and pharmacology of CFTR

SJ Bose, G Krainer, DRS Ng, M Schenkel, H Shishido, JS Yoon, PM Haggie, M Schlierf, DN Sheppard, WR Skach

– Journal of Cystic Fibrosis

(2020)

(DOI: 10.1016/j.jcf.2019.12.009)

Development of a Novel Cell-Permeable Protein–Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1

DJ Huggins, BS Hardwick, P Sharma, A Emery, L Laraia, F Zhang, AJ Narvaez, M Roberts-Thomson, AT Crooks, RG Boyle, R Boyce, DW Walker, N Mateu, GJ McKenzie, DR Spring, AR Venkitaraman

– ACS Omega

(2020)

acsomega.9b03626

(DOI: 10.1021/acsomega.9b03626)

The role of chemical design in the performance of organic semiconductors

H Bronstein, CB Nielsen, BC Schroeder, I McCulloch

– Nature Reviews Chemistry

(2020)

(DOI: 10.1038/s41570-019-0152-9)

Integration of a Hydrogenase in a Lead Halide Perovskite Photoelectrode for Tandem Solar Water Splitting

E Edwardes Moore, V Andrei, S Zacarias, IAC Pereira, E Reisner

– ACS Energy Letters