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Currently displaying 3381 - 3400 of 29680 publications

Making the most of data: Quantum Monte Carlo postanalysis revisited.

T Ichibha, VA Neufeld, K Hongo, R Maezono, AJW Thom

Physical Review E

(2022)

105

045313

(doi: 10.1103/PhysRevE.105.045313)

Perpendicular and Parallel Phase Separation in Two Species Driven Diffusive Lattice Gases

H Yu, K Thijssen, RL Jack

(2022)

Ibrutinib Inhibits BMX-Dependent Endothelial VCAM-1 Expression In Vitro and Pro-Atherosclerotic Endothelial Activation and Platelet Adhesion In Vivo

TCL Kohs, SR Olson, J Pang, KR Jordan, TJ Zheng, A Xie, J Hodovan, M Muller, C McArthur, J Johnson, BB Sousa, M Wallisch, P Kievit, JE Aslan, JD Seixas, GJL Bernardes, MT Hinds, JR Lindner, OJT McCarty, C Puy, JJ Shatzel

Cellular and Molecular Bioengineering

(2022)

231

(doi: 10.1007/s12195-022-00723-1)

Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field

EM Christlmaier, D Kats, A Alavi, D Usvyat

The Journal of chemical physics

(2022)

156

154107

(doi: 10.1063/5.0084040)

Beyond Platonic: How to Build Metal-Organic Polyhedra Capable of Binding Low-Symmetry, Information-Rich Molecular Cargoes.

CT McTernan, JA Davies, JR Nitschke

Chemical reviews

(2022)

122

10393

(doi: 10.1021/acs.chemrev.1c00763)

Thermodynamically Driven Synthetic Optimization for Cation‐Disordered Rock Salt Cathodes

Z Cai, Y Zhang, Z Lun, B Ouyang, LC Gallington, Y Sun, H Hau, Y Chen, MC Scott, G Ceder

Advanced Energy Materials

(2022)

2103923

(doi: 10.1002/aenm.202103923)

A Kinetic Map of the Influence of Biomimetic Lipid Membrane Models on Aβ42 Aggregation

KN Baumann, M Sanguanini, O Rimon, G Šneiderienė, H Greer, D Thacker, M Schneider, S Linse, TPJ Knowles, M Vendruscolo

(2022)

2022.04.16.488542

(doi: 10.1101/2022.04.16.488542)

A nano-magnetic size selective cfDNA extraction platform for liquid biopsy with enhanced precision.

Y Liu, L Cheng, G Wang, J Lv, Y He, P-L Shao, R Hu, H Xiao, J Tang, D Niu, J Yang, Z Tang, Z Xu, Y Liu, Y Li, K Song, B Wu, B Zhang

J Chromatogr B Analyt Technol Biomed Life Sci

(2022)

1199

123236

(doi: 10.1016/j.jchromb.2022.123236)

resPAINT: Accelerating volumetric super-resolution localisation microscopy by active control of probe emission

EW Sanders, AR Carr, E Bruggeman, M Koerbel, SI Benaissa, RF Donat, AM Santos, J McColl, K O’Holleran, D Klenerman, SJ Davis, SF Lee, A Ponjavic

(2022)

(doi: 10.1101/2022.04.14.488333)

Energy Landscapes for Base-Flipping in a Model DNA Duplex.

Nicy, D Chakraborty, DJ Wales

J Phys Chem B

(2022)

126

3012

(doi: 10.1021/acs.jpcb.2c00340)

Hidden information on protein function in censuses of proteome foldedness

D Cox, C-S Ang, NB Nillegoda, GE Reid, DM Hatters

Nat Commun

(2022)

1992

(doi: 10.1038/s41467-022-29661-2)

Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility

Y Fu, A Forse, Z Kang, M Cliffe, W Cao, J Yin, L Gao, Z Pang, T He, Q Chen, Q Wang, J Long, J Reimer, X Kong

(2022)

(doi: 10.21203/rs.3.rs-1173692/v1)

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

M Thomas, NM O'Boyle, A Bender, C de Graaf

(2022)

(doi: 10.26434/chemrxiv-2022-prz2r)

Oxidation of Individual Aromatic Species Gives Rise to Humic-like Optical Properties

BP Yakimov, AA Rubekina, AY Zherebker, GS Budylin, VO Kompanets, SV Chekalin, YG Vainer, AA Hasan, EN Nikolaev, VV Fadeev, IV Perminova, EA Shirshin

Environmental Science & Technology Letters

(2022)

452

(doi: 10.1021/acs.estlett.2c00161)

Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure

O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, F Miljković, P Grabowski, B Irwin, I Oprisiu, G Conduit, M Segall, GF Smith, B Williamson, S Winiwarter, N Greene

Mol Pharm

(2022)

1488

(doi: 10.10201/acs.molpharmaceut.2c00027)