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Currently displaying 5141 - 5160 of 29261 publications

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

I Cortés-Ciriano, C Škuta, A Bender, D Svozil

Journal of Cheminformatics

(2020)

(doi: 10.1186/s13321-020-00444-5)

High Resolution Biomolecular Condensate Phase Diagrams with a Combinatorial Microdroplet Platform

WE Arter, R Qi, NA Erkamp, G Krainer, K Didi, TJ Welsh, J Acker, J Nixon-Abell, S Qamar, J Guillén-Boixet, TM Franzmann, D Kuster, AA Hyman, A Borodavka, P St George-Hyslop, S Alberti, TPJ Knowles

(2020)

2020.06.04.132308

(doi: 10.1101/2020.06.04.132308)

Lipid membranes from naked mole-rat brain lipids are cholesterol-rich, highly phase-separated, and sensitive to amyloid-induced damage

D Frankel, M Davies, B Bhushan, Y Kulaberoglu, P Urriola-Munoz, J Bertrand-Michel, MR Pergande, AA Smith, S Preet, TJ Park, M Vendruscolo, K Rankin, SM Cologna, JR Kumita, N Cenac, E St John Smith

(2020)

(doi: 10.1101/2020.06.05.134973)

DNA binds to a specific site of the adhesive blood-protein von Willebrand factor guided by electrostatic interactions.

A Sandoval-Pérez, RML Berger, A Garaizar, SE Farr, MA Brehm, G König, SW Schneider, R Collepardo-Guevara, V Huck, JO Rädler, C Aponte-Santamaría

Nucleic acids research

(2020)

7333

(doi: 10.1093/nar/gkaa466)

Biophysical studies of protein misfolding and aggregation in in vivo models of Alzheimer's and Parkinson's diseases.

T Sinnige, K Stroobants, CM Dobson, M Vendruscolo

Quarterly reviews of biophysics

(2020)

e22

(doi: 10.1017/S0033583520000025)

Infrared Study of OCS Binding and Size-Selective Reactivity with Gold Clusters, Au_n⁺ (n = 1–10)

AE Green, S Schaller, G Meizyte, BJ Rhodes, SP Kealy, AS Gentleman, W Schöllkopf, A Fielicke, SR Mackenzie

J Phys Chem A

(2020)

124

5389

(doi: 10.1021/acs.jpca.0c03813)

Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides

J Xu, V Chmela, NJ Green, DA Russell, MJ Janicki, RW Góra, R Szabla, AD Bond, JD Sutherland

NATURE

(2020)

582

(doi: 10.1038/s41586-020-2330-9)

Novel Method for Monitoring the Electrochemical Capacitance by In Situ Impedance Spectroscopy as Indicator for Particle Cracking of Nickel-Rich NCMs: Part I. Theory and Validation

S Oswald, D Pritzl, M Wetjen, HA Gasteiger

Journal of The Electrochemical Society

(2020)

167

100511

(doi: 10.1149/1945-7111/ab9187)

In Silico Rationalisation of Selectivity and Reactivity in Pd-Catalysed C-H Activation Reactions

L Cao, M Kabeshov, S Ley, A Lapkin

(2020)

(doi: 10.26434/chemrxiv.11961354.v2)

Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A

I Paterson, IE Ndukwe, X Wang, NYS Lam, K Ermanis, KL Alexander, MJ Bertin, GE Martin, G Muir, R Britton, JM Goodman, EJN Helfrich, J Piel, WH Gerwick, RT Williamson

Chemical Communications

(2020)

(doi: 10.1039/d0cc03055d)

Refinement of Compound Aromaticity in Complex Organic Mixtures by Stable Isotope Label Assisted Ultrahigh-Resolution Mass Spectrometry.

A Zherebker, OJ Lechtenfeld, A Sarycheva, Y Kostyukevich, O Kharybin, EI Fedoros, EN Nikolaev

Anal Chem

(2020)

9032

(doi: 10.1021/acs.analchem.0c01208)

Data analysis in transient electronic spectroscopy – an experimentalist's view

JS Beckwith, CA Rumble, E Vauthey

International Reviews in Physical Chemistry

(2020)

135

(doi: 10.1080/0144235X.2020.1757942)

Continuous population-level monitoring of SARS-CoV-2 seroprevalence in a large metropolitan region

M Emmenegger, E De Cecco, D Lamparter, RPB Jacquat, J Riou, D Menges, T Ballouz, D Ebner, MM Schneider, IC Morales, B Doğançay, J Guo, A Wiedmer, J Domange, M Imeri, R Moos, C Zografou, L Batkitar, L Madrigal, D Schneider, C Trevisan, A Gonzalez-Guerra, A Carrella, IL Dubach, CK Xu, G Meisl, V Kosmoliaptsis, T Malinauskas, N Burgess-Brown, R Owens, S Hatch, J Mongkolsapaya, GR Screaton, K Schubert, JD Huck, F Liu, F Pojer, K Lau, D Hacker, E Probst-Müller, C Cervia, J Nilsson, O Boyman, L Saleh, K Spanaus, A von Eckardstein, DJ Schaer, N Ban, C-J Tsai, J Marino, GFX Schertler, N Ebert, V Thiel, J Gottschalk, BM Frey, R Reimann, S Hornemann, AM Ring, TPJ Knowles, MA Puhan, CL Althaus, I Xenarios, DI Stuart, A Aguzzi

(2020)

2020.05.31.20118554

(doi: 10.1101/2020.05.31.20118554)

Committee neural network potentials control generalization errors and enable active learning

C Schran, K Brezina, O Marsalek

(2020)

Metal‐Surface Interactions and Surface Heterogeneity in ‘Well‐Defined’ Silica‐Supported Alkene Metathesis Catalysts: Evidences and Consequences

M Pucino, W Liao, KW Chan, E Lam, R Schowner, PA Zhizhko, MR Buchmeiser, C Copéret

Helvetica Chimica Acta

(2020)

103

e2000072

(doi: 10.1002/hlca.202000072)

Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.

K McAulay, EA Hoyt, M Thomas, M Schimpl, MS Bodnarchuk, HJ Lewis, D Barratt, D Bhavsar, DM Robinson, MJ Deery, DJ Ogg, GJL Bernardes, RA Ward, MJ Waring, JG Kettle

J Am Chem Soc

(2020)

142

10358

(doi: 10.1021/jacs.9b13391)

Realistic and Robust Reproducible Research for Biostatistics

BP Hejblum, K Kunzmann, E Lavagnini, A Hutchinson, DS Robertson, SC Jones, AH Eckes-Shephard

(2020)

202006.0002.v1

(doi: 10.20944/preprints202006.0002.v1)

Uncertainties in macroeconomic assessments of low-carbon transition pathways - The case of the European iron and steel industry

G Bachner, J Mayer, KW Steininger, A Anger-Kraavi, A Smith, TS Barker

Ecological Economics

(2020)

172

106631

(doi: 10.1016/j.ecolecon.2020.106631)

Thermal Behaviour of Synovene and Oleamide in Oil Adsorbed on Steel

MTL Casford, D Puhan, PB Davies, GL Bracchi, TD Smith

Tribology Letters

(2020)

(doi: 10.1007/s11249-020-01293-x)

Evaluating integrated impacts of low -emission transitions in the livestock sector

E Spijker, A Anger-Kraavi, H Pollitt, D-J van de Ven

Environmental Innovation and Societal Transitions

(2020)

482

(doi: 10.1016/j.eist.2019.11.003)

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