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Currently displaying 521 - 540 of 29860 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)

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)

Design of Protein Sequences with Precisely Tuned Kinetic Properties

ZF Brotzakis, M Vendruscolo, G Skretas

(2025)

(doi: 10.1101/2025.02.13.638027)

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)

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)

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)

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

International journal of molecular sciences

(2025)

1604

(doi: 10.3390/ijms26041604)

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)

Direct air capture of CO2 for solar fuel 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)

448

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

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

J Am Chem Soc

(2025)

147

10088

(doi: 10.1021/jacs.4c11893)