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Currently displaying 2021 - 2040 of 29918 publications

Fragment-Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis

T Kirkman, S Fun Tan, SM Chavez-Pacheco, A Hammer, C Abell, M Tosin, AG Coyne, MVB Dias

ChemMedChem

(2023)

e202300240

(doi: 10.1002/cmdc.202300240)

De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection

M Rebelo, C Tang, AR Coelho, C Labão-Almeida, MM Schneider, L Tatalick, P Ruivo, MP de Miranda, A Gomes, T Carvalho, MJ Walker, H Ausserwoeger, J Pedro Simas, M Veldhoen, TPJ Knowles, D-A Silva, D Shoultz, GJL Bernardes

J Infect Dis

(2023)

228

723

(doi: 10.1093/infdis/jiad135)

Effect of the Solvent Quadrupolarizability on the Strength of the Hydrogen Bond: Theory vs Data for the Gibbs energy and Enthalpy of Homo- and Heteroassociation between Carboxylic Acids and Water

LJ Farren, N Sharifi, SM Clarke, RI Slavchov

The Journal of chemical physics

(2023)

158

214503

(doi: 10.1063/5.0137052)

Stable and scalable computation of state visitation probabilities in finite Markov chains

DJ Sharpe, DJ Wales

J Chem Phys

(2023)

158

211103

(doi: 10.1063/5.0154772)

Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation

M Vendruscolo

Expert Opinion on Drug Discovery

(2023)

881

(doi: 10.1080/17460441.2023.2221024)

C 13 NMR study of the electronic structure of lithiated graphite

DC Maxwell, CA O'Keefe, C Xu, CP Grey

Physical Review Materials

(2023)

065402

(doi: 10.1103/physrevmaterials.7.065402)

Quantifying collective interactions in biomolecular phase separation

H Ausserwöger, D Qian, G Krainer, E de Csilléry, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles

(2023)

(doi: 10.1101/2023.05.31.543137)

Global sensitivities of reactive N and S gas and particle concentrations and deposition to precursor emissions reductions

Y Ge, M Vieno, DS Stevenson, P Wind, MR Heal

Atmospheric Chemistry and Physics

(2023)

6083

(doi: 10.5194/acp-23-6083-2023)

Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data

S Seal, H Yang, M-A Trapotsi, S Singh, J Carreras-Puigvert, O Spjuth, A Bender

Journal of Cheminformatics

(2023)

(doi: 10.1186/s13321-023-00723-x)

Case report of a patient with unclassified tauopathy with molecular and neuropathological features of both progressive supranuclear palsy and corticobasal degeneration

S Koga, MA Metrick, LI Golbe, A Santambrogio, M Kim, AI Soto-Beasley, RL Walton, MC Baker, CF De Castro, M DeTure, D Russell, BA Navia, C Sandiego, OA Ross, M Vendruscolo, B Caughey, DW Dickson

Acta Neuropathol Commun

(2023)

(doi: 10.1186/s40478-023-01584-z)

Unlocking the Potential of Bio-Based Nitrogen-Rich Furanic Platforms as Biomass Synthons

RFA Gomes, BMF Gonçalves, KHS Andrade, BB Sousa, N Maulide, GJL Bernardes, CAM Afonso

Angewandte Chemie International Edition

(2023)

e202304449

(doi: 10.1002/anie.202304449)

Unlocking the Potential of Bio‐Based Nitrogen‐Rich Furanic Platforms as Biomass Synthons

RFA Gomes, BMF Gonçalves, KHS Andrade, BB Sousa, N Maulide, GJL Bernardes, CAM Afonso

Angewandte Chemie