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Currently displaying 3781 - 3800 of 29607 publications

Topological Ring Currents and Bond Currents in Neutral and Dianionic Altans and Iterated Altans of Benzene, Naphthalene, and Azulene

TK Dickens, RB Mallion

The Journal of Physical Chemistry A

(2021)

125

10485

(doi: 10.1021/acs.jpca.1c07846)

Regulation of blood-brain barrier integrity by microbiome-associated methylamines and cognition by trimethylamine N-oxide.

L Hoyles, MG Pontifex, I Rodriguez-Ramiro, MA Anis-Alavi, KS Jelane, T Snelling, E Solito, S Fonseca, AL Carvalho, SR Carding, M Müller, RC Glen, D Vauzour, S McArthur

Microbiome

(2021)

235

(doi: 10.1186/s40168-021-01181-z)

Highly compressible glass-like supramolecular polymer networks

Z Huang, X Chen, SJK O'Neill, G Wu, DJ Whitaker, J Li, JA McCune, OA Scherman

Nat Mater

(2021)

103

(doi: 10.1038/s41563-021-01124-x)

Introduction: Molecular Self-Assembly

D Pochan, O Scherman

Chemical reviews

(2021)

121

13699

(doi: 10.1021/acs.chemrev.1c00884)

Bayesian inference across multiple models suggests a strong increase in lethality of COVID-19 in late 2020 in the UK

P Pietzonka, E Brorson, W Bankes, ME Cates, RL Jack, R Adhikari

PLoS One

(2021)

e0258968

(doi: 10.1371/journal.pone.0258968)

Energetics of lipid transport by the ABC transporter MsbA is lipid dependent

D Guo, H Singh, A Shimoyama, C Guffick, Y Tang, SM Rowe, T Noel, DR Spring, K Fukase, HW van Veen

Communications Biology

(2021)

1379

(doi: 10.1038/s42003-021-02902-8)

RNA G-quadruplex structures control ribosomal protein production

D Varshney, SM Cuesta, B Herdy, UB Abdullah, D Tannahill, S Balasubramanian

Sci Rep

(2021)

22735

(doi: 10.1038/s41598-021-01847-6)

Physics-driven coarse-grained model for biomolecular phase separation with near-quantitative accuracy.

J Joseph, A Reinhardt, A Aguirre, PY Chew, K Russell, J Rene Espinosa, A Garaizar, R Collepardo Guevara

Nature computational science

(2021)

732

(doi: 10.1038/s43588-021-00155-3)

Comparison of coarse-grained and all-atom representations by explicit energy landscape explorations

Y Ma, A Monsavior, S Pasquali, K Roeder

(2021)

(doi: 10.26434/chemrxiv-2021-blvfj)

Special issue in honour of Michael L. Klein FRS

R Evans, D Frenkel, A Galindo, G Jackson

Molecular Physics

(2021)

119

e1999639

(doi: 10.1080/00268976.2021.1999639)

A multi-model analysis of long-term emissions and warming implications of current mitigation efforts

I Sognnaes, A Gambhir, D-J van de Ven, A Nikas, A Anger-Kraavi, H Bui, L Campagnolo, E Delpiazzo, H Doukas, S Giarola, N Grant, A Hawkes, AC Köberle, A Kolpakov, S Mittal, J Moreno, S Perdana, J Rogelj, M Vielle, GP Peters

Nature Climate Change

(2021)

1055

(doi: 10.1038/s41558-021-01206-3)

Forced unfolding of protein-inspired single-chain random heteropolymers

Z Han, S Hilburg, A Alexander-Katz

(2021)

(doi: 10.26434/chemrxiv-2021-zpz3b)

Thermodynamics and kinetics of crystallization in deeply supercooled Stillinger-Weber silicon.

Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry

Journal of Chemical Physics

(2021)