Yusuf Hamied Department of Chemistry

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  • Currently displaying 1241 - 1260 of 29303 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
(doi: 10.1016/j.greenca.2024.05.001)
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
(doi: 10.1021/acs.jpclett.4c01030)
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
Sci Adv
(2024)
10
(doi: 10.1126/sciadv.adn2208)
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of Fe II 6 L 6 and Fe II 8 L 8 Antiprisms
Y Yang, Y Du, TK Ronson, JR Nitschke
CCS Chemistry
(2024)
6
(doi: 10.31635/ccschem.024.202404281)
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)
(doi: 10.1101/2024.05.30.596437)
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(2024)
(doi: 10.17863/CAM.111484)
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)
(doi: 10.48550/arxiv.2405.20217)
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland
Chemical Communications
(2024)
60
(doi: 10.1039/d4cc01086h)
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
J Cheminform
(2024)
16
(doi: 10.1186/s13321-024-00861-w)
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
(doi: 10.1021/acs.chemmater.4c01013)
Light management by algal aggregates in living photosynthetic hydrogels
A Greenan-Smith, ST Chua, S Vignolini
Proceedings of the National Academy of Sciences of the United States of America
(2024)
121
(doi: 10.1073/pnas.2316206121)
Learning Electronic Polarizations in Aqueous Systems.
A Jana, S Shepherd, Y Litman, DM Wilkins
Journal of Chemical Information and Modeling
(2024)
64
(doi: 10.1021/acs.jcim.4c00421)
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)
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
(doi: 10.1021/acschemneuro.4c00127)
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
(doi: 10.1038/s41467-024-48775-3)
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)
(doi: 10.1101/2024.05.23.595321)
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
(doi: 10.1016/j.cattod.2024.114831)
An evolutionarily conserved mechanism controls reversible amyloids of pyruvate kinase via pH-sensing regions.
G Cereghetti, VM Kissling, LM Koch, A Arm, CC Schmidt, Y Thüringer, N Zamboni, P Afanasyev, M Linsenmeier, C Eichmann, S Kroschwald, J Zhou, Y Cao, DM Pfizenmaier, T Wiegand, R Cadalbert, G Gupta, D Boehringer, TPJ Knowles, R Mezzenga, P Arosio, R Riek, M Peter
Developmental Cell
(2024)
59
(doi: 10.1016/j.devcel.2024.04.018)
Emerging Mesoscale Flows and Chaotic Advection in Dense Active Matter
Y-E Keta, JU Klamser, RL Jack, L Berthier
Physical Review Letters
(2024)
132
(doi: 10.1103/PhysRevLett.132.218301)
Spatially tuneable multi-omics sequencing using light-driven combinatorial barcoding of molecules in tissues
G Battistoni, S Torres-Garcia, CY Sia, S Corriero, C Boquetale, E Williams, M Alini, N Hemmer, I consortium, S Balasubramanian, BC Nicholson, GJ Hannon, D Bressan
(2024)
(doi: 10.1101/2024.05.20.595040)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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