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  • Currently displaying 1601 - 1620 of 30180 publications
Author(s)
Publication title
Journal Name
Publication year
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
S Fang, R Wei, Y Cui, L Su
Green Carbon
(2024)
2
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(2024)
The diversity ofSNCAtranscripts in neurons, and its impact on antisense oligonucleotide therapeutics
JR Evans, EK Gustavsson, I Doykov, D Murphy, GS Virdi, J Lachica, A Röntgen, MH Murtada, CW Pang, H Macpherson, AI Wernick, CE Toomey, D Athauda, ML Choi, J Hardy, NW Wood, M Vendruscolo, K Mills, W Heywood, M Ryten, S Gandhi
(2024)
Ian Manners (1961-2023): Learning to Fly
E Leitao, H MacKenzie
Angewandte Chemie International Edition
(2024)
63
Influence of point mutations on PR65 conformational adaptability: Insights from molecular simulations and nanoaperture optical tweezers.
A Banerjee, S Mathew, MM Naqvi, SZ Yilmaz, M Zacharopoulou, P Doruker, JR Kumita, S-H Yang, M Gur, LS Itzhaki, R Gordon, I Bahar
Science advances
(2024)
10
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of FeII6L6 and FeII8L8 Antiprisms
Y Yang, Y Du, TK Ronson, JR Nitschke
CCS Chemistry
(2024)
6
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
The journal of physical chemistry letters
(2024)
15
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
(2024)
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland
Chemical Communications
(2024)
60
Local Structure and Dynamics in MPt(CN)6 Prussian Blue Analogues
EA Harbourne, H Barker, Q Guéroult, J Cattermull, LAV Nagle-Cocco, N Roth, JSO Evans, DA Keen, AL Goodwin
Chemistry of materials : a publication of the American Chemical Society
(2024)
36
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.
M Thomas, NM O'Boyle, A Bender, C De Graaf
Journal of Cheminformatics
(2024)
16
Learning Electronic Polarizations in Aqueous Systems
A Jana, S Shepherd, Y Litman, DM Wilkins
J Chem Inf Model
(2024)
64
Light management by algal aggregates in living photosynthetic hydrogels
A Greenan-Smith, ST Chua, S Vignolini
Proceedings of the National Academy of Sciences
(2024)
121
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces.
A Dear, D Thacker, S Wennmalm, L Ortigosa-Pascual, EA Andrzejewska, G Meisl, S Linse, T Knowles
ACS Chem Neurosci
(2024)
15
i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, J Higer, M Kellner, TE Li, ES Pós, E Stocco, G Trenins, B Hirshberg, M Rossi, M Ceriotti
(2024)
3D Printed PEDOT:PSS-based Conducting and Patternable Eutectogel Electrodes for Machine Learning on Textiles
R Ruiz-Mateos Serrano, A Aguzin, E Mitoudi-Vagourdi, X Tao, TE Naegele, AT Jin, N Lopez-Larrea, ML Picchio, M Vinicio Alban-Paccha, RJ Minari, D Mecerreyes, A Dominguez-Alfaro, GG Malliaras
Biomaterials
(2024)
310
Tuning structural modulation and magnetic properties in metal-organic coordination polymers [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$
M Geers, O Fabelo, MJ Cliffe, L Cañadillas-Delgado
(2024)
Palladium catalysts supported on biodegradable urea-based polymers in synthesis with CO – Part B
M Markovič, P Lopatka, P Koóš, T Soták, A Ház, T Gracza, SV Ley, M Králik
Catalysis Today
(2024)
440
Solutes unmask differences in clustering versus phase separation of FET proteins
M Kar, LT Vogel, G Chauhan, S Felekyan, H Ausserwöger, TJ Welsh, F Dar, AR Kamath, TPJ Knowles, AA Hyman, CAM Seidel, RV Pappu
Nature communications
(2024)
15
Biomolecular condensates sustain pH gradients at equilibrium through charge neutralisation
H Ausserwöger, R Scrutton, CM Fischer, T Sneideris, D Qian, E de Csilléry, I Baronaite, KL Saar, AZ Białek, M Oeller, G Krainer, TM Franzmann, S Wittmann, JM Iglesias-Artola, G Invernizzi, AA Hyman, S Alberti, N Lorenzen, TPJ Knowles
(2024)