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  • Currently displaying 2521 - 2540 of 30197 publications
Author(s)
Publication title
Journal Name
Publication year
Optimizing Jastrow factors for the transcorrelated method
JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi
The Journal of Chemical Physics
(2023)
158
Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy
KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring
Organic & biomolecular chemistry
(2023)
21
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics.
KT Pang, YS Yang, W Zhang, YS Ho, P Sormanni, TCT Michaels, I Walsh, S Chia
Biotechnology Advances
(2023)
67
Improving comparative analyses of Hi-C data via contrastive self-supervised learning.
H Li, X He, L Kurowski, R Zhang, D Zhao, J Zeng
Brief Bioinform
(2023)
24
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse
(2023)
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, S Bernart, F Studt, J-D Grunwaldt
The Journal of Physical Chemistry C
(2023)
127
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers †
Á García-Romero, D Miguel, DS Wright, CM Álvarez, R García-Rodríguez
Chemical Science
(2023)
14
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)
18
Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005-2018
MR Russo, BJ Kerridge, NL Abraham, J Keeble, BG Latter, R Siddans, J Weber, PT Griffiths, JA Pyle, AT Archibald
Atmospheric Chemistry and Physics
(2023)
23
13C NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
Physical Review Materials
(2023)
7
Stable and scalable computation of state visitation probabilities in finite Markov chains.
DJ Sharpe, DJ Wales
J Chem Phys
(2023)
158
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
Journal of Chemical Physics
(2023)
158
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
The Journal of infectious diseases
(2023)
228
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
M Vendruscolo
Expert Opinion on Drug Discovery
(2023)
18
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)
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
J Cheminform
(2023)
15
Global sensitivities of reactive N and S gas and particle concentrations anddeposition to precursor emissions reductions
Y Ge, M Vieno, DS Stevenson, P Wind, MR Heal
Atmospheric Chemistry and Physics
(2023)
23
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
(2023)
135
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)
11
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
Angew Chem Int Ed Engl
(2023)
62