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Currently displaying 6981 - 7000 of 29346 publications

Developing NMR methods for macromolecular machines: Measurement of residual dipolar couplings to probe dynamic regions of the ribosome

X Wang, J Kirkpatrick, H Launay, A de Simone, D Häussinger, C Dobson, M Vendruscolo, L Cabrita, C Waudby, J Christodoulou

(2018)

319251

(doi: 10.1101/319251)

Uncovering the connection between low-frequency dynamics and phase transformation phenomena in molecular solids

MT Ruggiero, W Zhang, AD Bond, DM Mittleman, JA Zeitler

– Physical Review Letters

(2018)

120,

196002

(doi: 10.1103/PhysRevLett.120.196002)

Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty

F Svensson, N Aniceto, U Norinder, I Cortes-Ciriano, O Spjuth, L Carlsson, A Bender

– Journal of Chemical Information and Modeling

(2018)

58,

1132

(doi: 10.1021/acs.jcim.8b00054)

Tropospheric jet response to Antarctic ozone depletion: An update with Chemistry-Climate Model Initiative (CCMI) models

SW Son, BR Han, CI Garfinkel, SY Kim, R Park, NL Abraham, H Akiyoshi, AT Archibald, N Butchart, MP Chipperfield, M Dameris, M Deushi, SS Dhomse, SC Hardiman, P Jöckel, D Kinnison, M Michou, O Morgenstern, FM O'Connor, LD Oman, DA Plummer, A Pozzer, LE Revell, E Rozanov, A Stenke, K Stone, S Tilmes, Y Yamashita, G Zeng

– Environmental Research Letters

(2018)

13,

054024

(doi: 10.1088/1748-9326/aabf21)

NOTCH-mediated non-cell autonomous regulation of chromatin structure during senescence.

AJ Parry, M Hoare, D Bihary, R Hänsel-Hertsch, S Smith, K Tomimatsu, E Mannion, A Smith, P D'Santos, IA Russell, S Balasubramanian, H Kimura, SA Samarajiwa, M Narita

– Nature communications

(2018)

1840

(doi: 10.1038/s41467-018-04283-9)

International chemical identifier for reactions (RInChI).

G Grethe, G Blanke, H Kraut, JM Goodman

– Journal of Cheminformatics

(2018)

248,

(doi: 10.1186/s13321-018-0277-8)

International chemical identifier for reactions (RInChI)

G Grethe, G Blanke, H Kraut, JM Goodman

– Journal of Cheminformatics

(2018)

10,

(doi: 10.1186/s13321-018-0277-8)

Code supporting "Tunneling-splittings from path-integral molecular dynamics using a Langevin thermostat"

CLJ Vaillant

(2018)

(doi: 10.17863/CAM.20999)

Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate

Y Jin, N-JH Kneusels, PCMM Magusin, G Kim, E Castillo-Martinez, LE Marbella, RN Kerber, DJ Howe, S Paul, T Liu, CP Grey

(2018)

(doi: 10.48550/arxiv.1805.03226)

Mimicking the surface and prebiotic chemistry of early Earth using flow chemistry.

DJ Ritson, C Battilocchio, SV Ley, JD Sutherland

– Nature communications

(2018)

1821

(doi: 10.1038/s41467-018-04147-2)

The Potential of Photoelectrochemical Carbon Sinks

M May, K Rehfeld

(2018)

(doi: 10.26434/chemrxiv.6231140.v1)

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

BWJ Irwin, DJ Huggins

– J Chem Theory Comput

(2018)

14,

3218

(doi: 10.1021/acs.jctc.8b00027)

Cholesterol catalyses Aβ42 aggregation through a heterogeneous nucleation pathway in the presence of lipid membranes

J Habchi, S Chia, C Galvagnion, TCT Michaels, MMJ Bellaiche, FS Ruggeri, M Sanguanini, I Idini, JR Kumita, E Sparr, S Linse, CM Dobson, TPJ Knowles, M Vendruscolo

– Nature chemistry

(2018)

10,

673

(doi: 10.1038/s41557-018-0031-x)