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Currently displaying 4761 - 4780 of 29567 publications

Efficient and exact sampling of transition path ensembles on Markovian networks

DJ Sharpe, DJ Wales

– Journal of Chemical Physics

(2020)

153,

024121

(doi: 10.1063/5.0012128)

Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis

JA Ribeiro, A Hammer, GA Libreros-Zúñiga, SM Chavez-Pacheco, P Tyrakis, GS de Oliveira, T Kirkman, J El Bakali, SA Rocco, ML Sforça, R Parise-Filho, AG Coyne, TL Blundell, C Abell, MVB Dias

– ACS Infect Dis

(2020)

2192

(doi: 10.1021/acsinfecdis.0c00263)

Highly Selective Asymmetric Hydrogenation of Oximes to Hydroxylamine Derivatives

F Tan, P Zheng, YQ Zou

– Chem

(2020)

1517

(doi: 10.1016/j.chempr.2020.06.025)

Recent developments in the PySCF program package.

Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, GH Booth, J Chen, Z-H Cui, JJ Eriksen, Y Gao, S Guo, J Hermann, MR Hermes, K Koh, P Koval, S Lehtola, Z Li, J Liu, N Mardirossian, JD McClain, M Motta, B Mussard, HQ Pham, A Pulkin, W Purwanto, PJ Robinson, E Ronca, ER Sayfutyarova, M Scheurer, HF Schurkus, JET Smith, C Sun, S-N Sun, S Upadhyay, LK Wagner, X Wang, A White, JD Whitfield, MJ Williamson, S Wouters, J Yang, JM Yu, T Zhu, TC Berkelbach, S Sharma, AY Sokolov, GK-L Chan

– The Journal of Chemical Physics

(2020)

153,

024109

(doi: 10.1063/5.0006074)

Stimuli Mediated Ultrastable Radical Formation

JA McCune, MF Kuehnel, E Reisner, OA Scherman

– Chem

(2020)

1819

(doi: 10.1016/j.chempr.2020.05.005)

Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil.

T Li, C Zhou, N Zheng, H Yang, G Kuang, X Shao, Z Li, J Cheng

– Biophysical Chemistry

(2020)

265,

106426

(doi: 10.1016/j.bpc.2020.106426)

Beyond Carbon: Enantioselective and Enantiospecific Reactions with Catalytically Generated Boryl- and Silylcopper Intermediates.

W Xue, M Oestreich

– ACS central science

(2020)

1070

(doi: 10.1021/acscentsci.0c00738)

Consequences of Lipid Remodeling of Adipocyte Membranes Being Functionally Distinct from Lipid Storage in Obesity

K-D Liu, A Acharjee, C Hinz, S Liggi, A Murgia, J Denes, MK Gulston, X Wang, Y Chu, JA West, RC Glen, LD Roberts, AJ Murray, JL Griffin

– Journal of Proteome Research

(2020)

19,

3919

(doi: 10.1021/acs.jproteome.9b00894)

Non-additive response of the high-latitude Southern Hemisphere climate to aerosol forcing in a climate model with interactive chemistry

JO Pope, A Orr, GJ Marshall, NL Abraham

– Atmospheric Science Letters

(2020)

21,

ARTN e1004

(doi: 10.1002/asl.1004)

Hetero-Coencapsulation within a Supramolecular Cage: Moving away from the Statistical Distribution of Different Guests.

C Bravin, G Licini, CA Hunter, C Zonta

– Chemistry - A European Journal

(2020)

26,

9454

(doi: 10.1002/chem.202000574)

Continuous Flow Reactors from Microfluidic Compartmentalization of Enzymes within Inorganic Microparticles

TA Hakala, F Bialas, Z Toprakcioglu, B Bräuer, KN Baumann, A Levin, GJL Bernardes, CFW Becker, TPJ Knowles

– ACS Applied Materials and Interfaces

(2020)

12,

32951

(doi: 10.1021/acsami.0c09226)

Long-term, continuous air quality monitoring in a cross-sectional study of three UK non-domestic buildings

S Stamp, E Burman, C Shrubsole, L Chatzidiakou, D Mumovic, M Davies

– Building and Environment

(2020)

180,

107071

(doi: 10.1016/j.buildenv.2020.107071)

Half a century of amyloids: past, present and future

PC Ke, R Zhou, LC Serpell, R Riek, TPJ Knowles, HA Lashuel, E Gazit, IW Hamley, TP Davis, M Fändrich, DE Otzen, MR Chapman, CM Dobson, DS Eisenberg, R Mezzenga

– Chem Soc Rev

(2020)

49,

5473

(doi: 10.1039/c9cs00199a)

PSCs initiated by mountain waves in a global chemistry-climate model: A missing piece in fully modelling polar stratospheric ozone depletion

A Orr, JS Hosking, A Delon, L Hoffmann, R Spang, T Moffat-Griffin, J Keeble, NL Abraham, P Braesicke

– Atmospheric Chemistry and Physics

(2020)

2020,

(doi: 10.5194/acp-2020-560)

Supramolecular catalysis by recognition-encoded oligomers: Discovery of a synthetic imine polymerase

L Gabrielli, CA Hunter

– Chemical science

(2020)

11,

7408

(doi: 10.1039/d0sc02234a)

Biosensing and electrochemical properties of flavin adenine dinucleotide (FAD)-Dependent glucose dehydrogenase (GDH) fused to a gold binding peptide

H Lee, YS Lee, SS Reginald, S Baek, EM Lee, I-G Choi, IS Chang

– Biosensors and Bioelectronics

(2020)

165,

112427

(doi: 10.1016/j.bios.2020.112427)

Directed Energy Transfer from Monolayer $WS_{2}$ to NIR Emitting PbS-CdS Quantum Dots

AOA Tanoh, N Gauriot, G Delport, J Xiao, R Pandya, JY Sung, J Allardice, Z Li, CA Williams, A Baldwin, SD Stranks, A Rao

(2020)

(doi: 10.48550/arxiv.2007.01692)

Investigating the effect of a fluoroethylene carbonate additive on lithium deposition and the solid electrolyte interphase in lithium metal batteries usingin situNMR spectroscopy

AB Gunnarsdóttir, S Vema, S Menkin, LE Marbella, CP Grey

– Journal of Materials Chemistry A

(2020)

14975

(doi: 10.1039/d0ta05652a)