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  • Currently displaying 221 - 240 of 2473 publications
Author(s)
Publication title
Journal Name
Publication year
Estimation of ligand binding free energy using multi-eGO.
B Stegani, E Scalone, F Bacic Toplek, T Lohr, S Gianni, M Vendruscolo, R Capelli, C Camilloni
(2024)
Detecting and Tracking β-Amyloid Oligomeric Forms and Dynamics In Vitro by a High-Sensitivity Fluorescent-Based Assay
Y Zhao, O Brener, E Andrzejewska, J Wei, C Reiß, O Tietz, TPJ Knowles, FI Aigbirhio
ACS chemical neuroscience
(2024)
15
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, S Aureli, F Ballabio, M Bernetti, L Bonati, SGH Brookes, ZF Brotzakis, R Capelli, M Ceriotti, K-T Chan, P Cossio, S Dasetty, D Donadio, B Ensing, AL Ferguson, G Fraux, JD Gale, FL Gervasio, T Giorgino, NSM Herringer, GM Hocky, SE Hoff, M Invernizzi, O Languin-Cattöen, V Leone, V Limongelli, O Lopez-Acevedo, F Marinelli, PF Martinez, M Masetti, S Mehdi, A Michaelides, MH Murtada, M Parrinello, PM Piaggi, A Pietropaolo, F Pietrucci, S Pipolo, C Pritchard, P Raiteri, S Raniolo, D Rapetti, V Rizzi, J Rydzewski, M Salvalaglio, C Schran, A Seal, AS Zadeh, TFD Silva, V Spiwok, G Stirnemann, D Sucerquia, P Tiwary, O Valsson, M Vendruscolo, GA Voth, AD White, J Wu
(2024)
Language Models for Molecular Dynamics
MH Murtada, ZF Brotzakis, M Vendruscolo
(2024)
Extracellular phase separation mediates storage and release of thyroglobulin in the thyroid follicular lumen
T Knowles, Y Yao, N Erkamp, T Sneideris, X Yang, R Scrutton, M Schneider, C Fischer, E Schoenmakers, N Schoenmakers
(2024)
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
The inhibitory action of the chaperone BRICHOS against the α-Synuclein secondary nucleation pathway.
D Ghosh, F Torres, MM Schneider, D Ashkinadze, H Kadavath, Y Fleischmann, S Mergenthal, P Güntert, G Krainer, EA Andrzejewska, L Lin, J Wei, E Klotzsch, T Knowles, R Riek
Nature communications
(2024)
15
A scale-invariant log-normal droplet size distribution below the transition concentration for protein phase separation
T Amico, S Dada, A Lazzari, A Trovato, M Vendruscolo, M Fuxreiter, A Maritan
eLife
(2024)
13
A scale-invariant log-normal droplet size distribution below the critical concentration for protein phase separation.
T Amico, ST Dada, A Lazzari, M Brezinova, A Trovato, M Vendruscolo, M Fuxreiter, A Maritan
Elife
(2024)
13
Dynamically arrested condensate fusion creates complex structures with varying material properties
NA Erkamp, I Sanchez-Burgos, A Zhou, TJ Krug, S Qamar, T Sneideris, E Zhang, K Nakajima, A Chen, R Collepardo-Guevara, J van Hest, P St George-Hyslop, DA Weitz, JR Espinosa, TPJ Knowles
(2024)
Organization of the Proteostasis Network of Membraneless Organelles
CM Lim, Y Bian, AG Díaz, F Pun, A Zhavoronkov, RI Morimoto, M Vendruscolo
(2024)
AlphaFold-Metainference: Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo
(2024)
Global kinetic model of lipid-induced α-synuclein aggregation and its inhibition by small molecules
A Stevenson, R Staats, AJ Dear, D Voderholzer, G Meisl, R Guido, C Galvagnion, AK Buell, TPJ Knowles, M Vendruscolo, TCT Michaels
(2024)
Learning the rules of peptide self-assembly through data mining with large language models
Z Yang, SK Yorke, TPJ Knowles, MJ Buehler
(2024)
Technologies for Targeted RNA Degradation and Induced RNA Decay.
S Mikutis, GJL Bernardes
Chemical Reviews
(2024)
124
Selective Inhibition of the m6a RNA Reader, YTHDC1, As a Novel Therapeutic Strategy for MYC-Driven Acute Myeloid Leukemia
M Arora, R Centore, M Charles, Y Chen, M Watson, M Czekalska, M Rebmann, M Ghandi, J Cattin, N Bharatham, P Radhakrishnan, A Howarth, WE Arter, S Qamar, L Andraghetti, K Saar, A Seeber, MG Kharas, M Kulander, T Knowles, S Arora
Blood
(2024)
144
AIntibody: an experimentally validated in silico antibody discovery design challenge
MF Erasmus, L Spector, F Ferrara, R DiNiro, TJ Pohl, K Perea-Schmittle, W Wang, PM Tessier, C Richardson, L Turner, S Kumar, D Bedinger, P Sormanni, ML Fernández-Quintero, AB Ward, JR Loeffler, OM Swanson, CM Deane, MIJ Raybould, A Evers, C Sellmann, S Bachas, J Ruffolo, HG Nastri, K Ramesh, J Sørensen, R Croasdale-Wood, O Hijano, C Leal-Lopes, M Shahsavarian, Y Qiu, P Marcatili, E Vernet, R Akbar, S Friedensohn, R Wagner, VB Kurella, S Malhotra, S Kumar, P Kidger, JC Almagro, E Furfine, M Stanton, CP Graff, SD Villalba, F Tomszak, AAR Teixeira, E Hopkins, M Dovner, S D'Angelo, ARM Bradbury
Nature biotechnology
(2024)
42
Non-Natural MUC1 Glycopeptide Homogeneous Cancer Vaccine with Enhanced Immunogenicity and Therapeutic Activity.
A Guerreiro, I Compañón, FS Lazaris, C Labão-Almeida, P Oroz, M Ghirardello, MC Marques, F Corzana, GJL Bernardes
Angew Chem Int Ed Engl
(2024)
63
Oxidation-sensitive cysteines drive IL-38 amyloid formation.
A Diaz-Barreiro, G Cereghetti, FG Ortega Sánchez, J Tonacini, D Talabot-Ayer, S Kieffer-Jaquinod, VM Kissling, A Huard, C Swale, TPJ Knowles, Y Couté, M Peter, A Francés-Monerris, G Palmer
Cell reports
(2024)
43
Synapsin condensation is governed by sequence-encoded molecular grammars
C Hoffmann, KM Ruff, I Edu, M Kyung Shinn, J Tromm, M King, A Pant, H Ausserwoeger, J Morgan, T Knowles, RV Pappu, D Milovanovic
(2024)