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  • Currently displaying 1121 - 1140 of 30389 publications
Author(s)
Publication title
Journal Name
Publication year
Chemisorption and physisorption of alcohols on iron(III) oxide-terminated surfaces from nonpolar solvents
IE Salama, RI Slavchov, SV Filip, SM Clarke
J Colloid Interface Sci
(2025)
685
Metal-ligand redox in layered oxide cathodes for Li-ion batteries
MJW Ogley, AS Menon, GC Pandey, GJP Fajardo, BJ Johnston, I McClelland, V Majherova, S Huband, D Tripathy, I Temprano, S Agrestini, V Celorrio, GE Pérez, SG Booth, CP Grey, SA Cussen, LFJ Piper
Joule
(2025)
9
Compositional and functional diversity of minimal primitive coacervates in a nucleic acid-peptide world
KK Nakashima, FZ Mihoubi, J Saraya, K Russell, F Rahmatova, J Robinson, MJ Maristany, J Huertas, R Rubio-Sánchez, R Collepardo-Guevara, D O'Flaherty, C Bonfio
(2025)
Transient interactions between the fuzzy coat and the cross-beta core of brain-derived A-beta 42 filaments
M Milanesi, ZF Brotzakis, M Vendruscolo
Science Advances
(2025)
11
A triad of somatic mutagenesis converges in self-reactive B cells to cause a virus-induced autoimmune disease
C Young, M Singh, KJL Jackson, MA Field, TJ Peters, S Angioletti-Uberti, D Frenkel, S Ravishankar, M Gupta, JJ Wang, D Agapiou, ML Faulks, G Al-Eryani, F Luciani, TP Gordon, JH Reed, M Danta, A Carr, AD Kelleher, GJ Dore, G Matthews, R Brink, RA Bull, D Suan, CC Goodnow
Immunity
(2025)
58
Deletion of the moe A gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism
ÁE Doncel, C Patinios, A Campos, MBW Costa, MV Turkina, M Murace, RHJ Staals, S Vignolini, BE Dutilh, CJ Ingham
(2025)
Optical materials discovery and design with federated databases and machine learning
V Trinquet, ML Evans, CJ Hargreaves, P-P De Breuck, G-M Rignanese
Faraday Discuss
(2025)
256
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
Faraday Discuss
(2025)
256
Discovering structure-property correlations: general discussion
AS Anker, A Aspuru-Guzik, C Ben Mahmoud, S Bennett, KR Briling, A Changiarath, S Chong, CM Collins, AI Cooper, D Crusius, KK Darmawan, B Das, N David, GM Day, VL Deringer, F Duarte, A Eardley-Brunt, ML Evans, R Evans, I Fairlamb, BA Franklin, J Frey, AM Ganose, M Goulding, R Hafizi, M Hakkennes, N Hickey, G James, KE Jelfs, AV Kalikadien, V Kapil, Z Koczor-Benda, F Krammer, HJ Kulik, V Kumar, C Kuttner, E Lam, Y Lou, E Mante, J Martin, AM Mroz, T Nematiaram, CWP Pare, S Patra, J Proudfoot, B Ruscic, MR Ryder, K Sakaushi, J Saßmannshausen, BM Savoie, N Schneider, P Schwaller, BB Skjelstad, W Sun, FT Szczypiński, S Torrisi, K Ueltzen, S Vishnoi, A Walsh, X Wang, C Wilson, R Wu, J Zeitler
Faraday Discussions
(2025)
256
Discovering trends in big data: general discussion
RV Albornoz, D Antypov, G Blanke, I Borges, A Marulanda Bran, J Cheung, CM Collins, N David, GM Day, VL Deringer, C Draxl, A Eardley-Brunt, ML Evans, I Fairlamb, K Fieseler, BA Franklin, J George, J Grundy, J Johal, AV Kalikadien, V Kapil, L Kotopanov, V Kumar, C Kuttner, M Lederbauer, AC Ojeda-Porras, J Pang, M Parkes, M Pemberton, B Ruscic, MR Ryder, K Sakaushi, G Saleh, BM Savoie, P Schwaller, BB Skjelstad, W Sun, T Taniguchi, CR Taylor, S Torrisi, S Vishnoi, A Walsh, R Wu
Faraday Discussions
(2025)
256
Discovering synthesis targets: general discussion
AS Anker, A Aspuru-Guzik, T Bechtel, F Bigi, KR Briling, B Das, N David, GM Day, VL Deringer, M Dyer, A Eardley-Brunt, ML Evans, R Evans, BA Franklin, AM Ganose, J George, M Goulding, N Hickey, G James, AV Kalikadien, V Kapil, HJ Kulik, V Kumar, C Kuttner, E Lam, M Lederbauer, Y Lou, J Martin, A Marulanda Bran, M Mathea, CJ Pickard, B Ruscic, MR Ryder, V Sabanza Gil, P Schwaller, MHS Segler, W Sun, S Tanovic, W Treyde, A Walsh, R Wu
Faraday Discussions
(2025)
256
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules.
P Bolgar, M Dhiman, D Núñez-Villanueva, CA Hunter
Chem Rev
(2025)
125
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates.
A Feito, I Sanchez-Burgos, I Tejero, E Sanz, A Rey, R Collepardo-Guevara, AR Tejedor, JR Espinosa
PLoS Comput Biol
(2025)
21
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system
Y Li, J Zhu, Z Zhang, J Wei, F Wang, G Meisl, TPJ Knowles, EH Egelman, FA Tezcan
Nature Chemical Biology
(2025)
21
Modular perovskite-BiVO4 artificial leaves towards syngas synthesis on a m2 scale
V Andrei, Y-H Chiang, M Rahaman, M Anaya, T Kang, E Ruggeri, SD Stranks, E Reisner
Energy and Environmental Science
(2025)
18
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
M Sprik
(2025)
A pseudo-cubic metal–organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation
H Xu, TK Ronson, AW Heard, PCP Teeuwen, L Schneider, P Pracht, JD Thoburn, DJ Wales, JR Nitschke
Nature Chemistry
(2025)
17
Controlled Structural Activation of Iridium Single Atom Catalyst for High-Performance Proton Exchange Membrane Water Electrolysis.
W Ko, J Shim, H Ahn, HJ Kwon, K Lee, Y Jung, WH Antink, CW Lee, S Heo, S Lee, J Jang, J Kim, HS Lee, S-P Cho, B-H Lee, M Kim, Y-E Sung, T Hyeon
Journal of the American Chemical Society
(2025)
147
Big data and simulations in NMR crystallography: general discussion.
SE Ashbrook, GJO Beran, J Blahut, F Blanc, C Bornes, L Brammer, SP Brown, T Charpentier, M Dračínský, MK Dudek, L Emsley, CH Fleischer, AL Goodwin, AF Harper, KDM Harris, P Hodgkinson, MA Hope, CE Hughes, SS Köcher, Z Li, AJ Morris, LJ Mueller, SO Nilsson Lill, SL Price, BJ Rhodes, D Torodii
Faraday Discuss
(2025)
255
Prediction of protein biophysical traits from limited data: a case study on nanobody thermostability through NanoMelt
A Ramon, M Ni, O Predeina, R Gaffey, P Kunz, S Onuoha, P Sormanni
mAbs
(2025)
17