Assessment of fine-tuned large language models for real-world chemistry and material science applications
J Van Herck, MV Gil, KM Jablonka, A Abrudan, AS Anker, M Asgari, B Blaiszik, A Buffo, L Choudhury, C Corminboeuf, H Daglar, AM Elahi, IT Foster, S Garcia, M Garvin, G Godin, LL Good, J Gu, N Xiao Hu, X Jin, T Junkers, S Keskin, TPJ Knowles, R Laplaza, M Lessona, S Majumdar, H Mashhadimoslem, RD McIntosh, SM Moosavi, B Mouriño, F Nerli, C Pevida, N Poudineh, M Rajabi-Kochi, KL Saar, F Hooriabad Saboor, M Sagharichiha, KJ Schmidt, J Shi, E Simone, D Svatunek, M Taddei, I Tetko, D Tolnai, S Vahdatifar, J Whitmer, DCF Wieland, R Willumeit-Römer, A Züttel, B Smit
– Chem Sci
(2024)
16,
Single-molecule digital sizing of proteins in solution.
G Krainer, RPB Jacquat, MM Schneider, TJ Welsh, J Fan, QAE Peter, EA Andrzejewska, G Šneiderienė, MA Czekalska, H Ausserwoeger, L Chai, WE Arter, KL Saar, TW Herling, TM Franzmann, V Kosmoliaptsis, S Alberti, FU Hartl, SF Lee, TPJ Knowles
– Nat Commun
(2024)
15,
Protein Condensate Atlas from predictive models of heteromolecular condensate composition
KL Saar, RM Scrutton, K Bloznelyte, AS Morgunov, LL Good, AA Lee, SA Teichmann, TPJ Knowles
– Nat Commun
(2024)
15,
Protein Condensate Atlas from predictive models of heteromolecular condensate composition
KL Saar, RM Scrutton, K Bloznelyte, AS Morgunov, LL Good, AA Lee, SA Teichmann, TPJ Knowles
– Nature Communications
(2024)
15,
α-synuclein oligomers displace monomeric α-synuclein from lipid membranes
G Šneiderienė, MA Czekalska, CK Xu, AK Jayaram, G Krainer, WE Arter, QAE Peter, M Castellana-Cruz, KL Saar, A Levin, T Mueller, S Fiedler, SRA Devenish, H Fiegler, JR Kumita, TPJ Knowles
– ACS Nano
(2024)
18,
Biomolecular condensates sustain pH gradients at equilibrium driven by charge neutralisation
H Ausserwöger, R Scrutton, T Sneideris, C Fischer, D Qian, E de Csilléry, K Saar, A Białek, M Oeller, G Krainer, T Franzmann, S Wittmann, J Iglesias-Artola, G Invernizzi, A Hyman, S Alberti, N Lorenzen, T Knowles
(2024)
Targeting nucleic acid phase transitions as a mechanism of action for antimicrobial peptides.
T Sneideris, NA Erkamp, H Ausserwöger, KL Saar, TJ Welsh, D Qian, K Katsuya-Gaviria, MLLY Johncock, G Krainer, A Borodavka, TPJ Knowles
– Nature Communications
(2023)
14,
Single-molecule digital sizing of proteins in solution
G Krainer, RPB Jacquat, M Schneider, T Welsh, J Fan, Q Peter, E Andrzejewska, G Šneiderienė, M Czekalska, H Ausserwoeger, L Chai, W Arter, K Saar, T Herling, T Franzmann, V Kosmoliaptsis, S Alberti, F-U Hartl, S Lee, TPJ Knowles
(2023)
Theoretical and Data-Driven Approaches for Biomolecular Condensates
KL Saar, D Qian, LL Good, AS Morgunov, R Collepardo-Guevara, RB Best, TPJ Knowles
– Chem Rev
(2023)
123,
Turning high-throughput structural biology into predictive inhibitor design
KL Saar, W McCorkindale, D Fearon, M Boby, H Barr, A Ben-Shmuel, COVID Moonshot Consortium, N London, F von Delft, JD Chodera, AA Lee
– Proceedings of the National Academy of Sciences
(2023)
120,