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Currently displaying 3181 - 3200 of 29486 publications

A directed sampling approach for modelling the structural and electronic properties of amorphous alumina

AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris

(2021)

(doi: 10.26434/chemrxiv-2021-qjzbj)

Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid

TK Dickens, RB Mallion

– Journal of Organic Chemistry

(2021)

86,

17404

(doi: 10.1021/acs.joc.1c01836)

Testing the quasicentroid molecular dynamics method on gas-phase ammonia

C Haggard, VG Sadhasivam, G Trenins, SC Althorpe

– J Chem Phys

(2021)

155,

174120

(doi: 10.1063/5.0068250)

Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges

M Thomas, A Boardman, M Garcia-Ortegon, H Yang, C de Graaf, A Bender

– Methods in molecular biology (Clifton, N.J.)

(2021)

2390,

(doi: 10.1007/978-1-0716-1787-8_1)

Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.

F Bürmann, LFH Funke, JW Chin, J Löwe

– Molecular cell

(2021)

81,

4891

(doi: 10.1016/j.molcel.2021.10.011)

A Platform for Site-Specific DNA-Antibody Bioconjugation by Using Benzoylacrylic-Labelled Oligonucleotides

J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes

– Angew Chem Int Ed Engl

(2021)

60,

25905

(doi: 10.1002/anie.202109713)

Vitamin A and vitamin E metabolites comodulate amyloid-β aggregation

P Joshi, S Chia, X Yang, M Perni, J Habchi, M Vendruscolo

(2021)

2021.10.30.466561

(doi: 10.1101/2021.10.30.466561)

Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential.

A Banerjee, DJ Wales

– Journal of Physics Condensed Matter

(2021)

34,

034004

(doi: 10.1088/1361-648X/ac2f6d)

A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides

J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes

– Angewandte Chemie

(2021)

133,

26109

(doi: 10.1002/ange.202109713)

Mechanistically driven identification of novel structural alerts for mitochondrial toxicity

C Gong, KR Przybylak, JM Goodman

– Computational Toxicology

(2021)

20,

100183

(doi: 10.1016/j.comtox.2021.100183)

Atomic surface control of Ge(100) in MOCVD reactors coated with (Ga)As residuals

A Paszuk, O Supplie, S Brückner, E Barrigón, MM May, M Nandy, A Gieß, A Dobrich, P Kleinschmidt, I Rey-Stolle, T Hannappel

– Applied Surface Science

(2021)

565,

150513

(doi: 10.1016/j.apsusc.2021.150513)

Surface-Catalyzed Secondary Nucleation Dominates the Generation of Toxic IAPP Aggregates.

DC Rodriguez Camargo, S Chia, J Menzies, B Mannini, G Meisl, M Lundqvist, C Pohl, K Bernfur, V Lattanzi, J Habchi, SI Cohen, TPJ Knowles, M Vendruscolo, S Linse

– Frontiers in molecular biosciences

(2021)

757425

(doi: 10.3389/fmolb.2021.757425)