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Currently displaying 11201 - 11220 of 29295 publications

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts

S Liggi, G Drakakis, A Koutsoukas, I Cortes-Ciriano, P Martínez-Alonso, TE Malliavin, A Velazquez-Campoy, SC Brewerton, MJ Bodkin, DA Evans, RC Glen, JA Carrodeguas, A Bender

Future medicinal chemistry

(2014)

2029

(doi: 10.4155/fmc.14.137)

Kinetic theory of protein filament growth: Self-consistent methods and perturbative techniques

TCT Michaels, TPJ Knowles

International Journal of Modern Physics B

(2014)

1530002

(doi: 10.1142/S0217979215300029)

Lattice simulation method to model diffusion and NMR spectra in porous materials

C Merlet, AC Forse, JM Griffin, D Frenkel, CP Grey

(2014)

(doi: 10.48550/arxiv.1412.7043)

The impact of polar stratospheric ozone loss on Southern Hemisphere stratospheric circulation and climate

J Keeble, P Braesicke, NL Abraham, HK Roscoe, JA Pyle

Atmospheric Chemistry and Physics

(2014)

13705

(doi: 10.5194/acp-14-13705-2014)

Controlling the Reactivity of the SeSe Bond by the Supramolecular Chemistry of Cucurbituril

H Ren, Z Huang, H Yang, H Xu, X Zhang

ChemPhysChem

(2014)

523

(doi: 10.1002/cphc.201402840)

K_1-xFe_2+x/3(CN)₆•yH₂O, Prussian Blue as a displacement anode for lithium ion batteries

MJ Piernas-Muñoz, E Castillo-Martínez, V Roddatis, M Armand, T Rojo

Journal of Power Sources

(2014)

271

489

(doi: 10.1016/j.jpowsour.2014.08.025)

Evolution of oligomeric state through allosteric pathways that mimic ligand binding.

T Perica, Y Kondo, SP Tiwari, SH McLaughlin, KR Kemplen, X Zhang, A Steward, N Reuter, J Clarke, SA Teichmann

Science

(2014)

346

1254346

(doi: 10.1126/science.1254346)

Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp²)-H Bond Activation:, Efficient Synthesis of [3,4]-Fused Oxindoles

A Bunescu, T Piou, Q Wang, J Zhu

Org Lett

(2014)

334

(doi: 10.1021/ol503442n)

Accuracy of current all-atom force-fields in modeling protein disordered states

F Palazzesi, MK Prakash, M Bonomi, A Barducci

Journal of chemical theory and computation

(2014)

(doi: 10.1021/ct500718s)

Better cloning through expression

MD Crabtree

Science

(2014)

346

1477.3

(doi: 10.1126/science.346.6216.1477-c)

Structural biology of presenilin 1 complexes

Y Li, C Bohm, R Dodd, F Chen, S Qamar, G Schmitt-Ulms, PE Fraser, PH St George-Hyslop

Mol Neurodegener

(2014)

(doi: 10.1186/1750-1326-9-59)

Energy landscapes, folding mechanisms, and kinetics of RNA tetraloop hairpins.

D Chakraborty, R Collepardo-Guevara, DJ Wales

J Am Chem Soc

(2014)

18052

(doi: 10.1021/ja5100756)

Order through entropy

D Frenkel

Nature materials

(2014)

(doi: 10.1038/nmat4178)

Interfacial assembly of dendritic microcapsules with host–guest chemistry

Y Zheng, Z Yu, RM Parker, Y Wu, C Abell, OA Scherman

Nat Commun

(2014)

5772

(doi: 10.1038/ncomms6772)

A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.

AM Asiri, HG Heller, DS Hughes, MB Hursthouse, J Kendrick, FJ Leusen, R Montis

Chemistry Central Journal

(2014)

(doi: 10.1186/s13065-014-0070-3)