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Currently displaying 561 - 580 of 29233 publications

Energy Landscapes for the Unitary Coupled Cluster Ansatz

C Boy, M-A Filip, DJ Wales

Journal of chemical theory and computation

(2025)

1739

(doi: 10.1021/acs.jctc.4c01667)

Receptor clustering tunes and sharpens the selectivity of multivalent binding

Z Xie, S Angioletti-Uberti, J Dobnikar, D Frenkel, T Curk

Proc Natl Acad Sci U S A

(2025)

122

e2417159122

(doi: 10.1073/pnas.2417159122)

Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.

JA Newman, AE Gavard, N Imprachim, H Aitkenhead, HE Sheppard, R Te Poele, PA Clarke, MA Hossain, L Temme, HJ Oh, CI Wells, ZW Davis-Gilbert, P Workman, O Gileadi, DH Drewry

Nat Commun

(2025)

1596

(doi: 10.1038/s41467-025-56213-1)

Design of Protein Sequences with Precisely Tuned Kinetic Properties

ZF Brotzakis, M Vendruscolo, G Skretas

(2025)

(doi: 10.1101/2025.02.13.638027)

AlphaFold prediction of structural ensembles of disordered proteins.

ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo

Nat Commun

(2025)

1632

(doi: 10.1038/s41467-025-56572-9)

Hepatoprotective Activity of Nature-Derived Polyphenols Studied by Mass Spectrometry Based Multi-OMICS Approach.

AG Brzhozovskiy, SD Semenov, AY Zherebker, AE Bugrova, MN Yurova, YV Zhernov, OA Kovaleva, AL Semenov, DP Abroskin, SS Kruglov, EI Fedoros, AS Kononikhin, EN Nikolaev

Int J Mol Sci

(2025)

1604

(doi: 10.3390/ijms26041604)

First-Principles Simulation of Anharmonic and Anisotropic Vibrations of Glycinate on Copper

AD Ievins, M Sacchi, SJ Jenkins

ACS omega

(2025)

7422

(doi: 10.1021/acsomega.5c00210)

Direct air capture of CO2 for solar fuels production in flow

S Kar, D Kim, A Bin Mohamad Annuar, BB Sarma, M Stanton, E Lam, S Bhattacharjee, S Karak, HF Greer, E Reisner

Nature Energy

(2025)

(doi: 10.1038/s41560-025-01714-y)

Transcorrelated methods applied to second row elements.

M-A Filip, P López Ríos, JP Haupt, EMC Christlmaier, D Kats, A Alavi

The Journal of Chemical Physics

(2025)

162

064110

(doi: 10.1063/5.0246422)

Recombinase-Controlled Multiphase Condensates Accelerate Nucleic Acid Amplification and CRISPR-Based Diagnostics.

A Homchan, M Patchsung, P Chantanakool, T Wongsatit, W Onchan, D Muengsaen, T Thaweeskulchai, M Tandean, T Sakpetch, S Suraritdechachai, K Aphicho, C Panchai, S Taiwan, N Horthongkham, T Sudyoadsuk, A Reinhardt, C Uttamapinant

Journal of the American Chemical Society

(2025)

147

10088

(doi: 10.1021/jacs.4c11893)