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  • Currently displaying 1321 - 1340 of 30825 publications
Author(s)
Publication title
Journal Name
Publication year
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 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 Discuss
(2025)
256
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 discussions
(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 discussions
(2025)
256
Room Temperature Optically and Magnetically Active Edges in Phosphorene Nanoribbons
A Ashoka, AJ Clancy, NA Panjwani, A Cronin, L Picco, ESY Aw, NJM Popiel, A Eaton, TG Parton, RRC Shutt, S Feldmann, R Carey, TJ Macdonald, ME Severijnen, S Kleuskens, LA Muscarella, FR Fischer, HB de Aguiar, RH Friend, J Behrends, PCM Christianen, CA Howard, R Pandya
(2025)
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
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules.
P Bolgar, M Dhiman, D Núñez-Villanueva, CA Hunter
Chemical reviews
(2025)
125
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
Nat Chem Biol
(2025)
21
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
M Sprik
(2025)
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
Detecting the Undetectable: Advances in Methods for Identifying Small Tau Aggregates in Neurodegenerative Diseases
D Böken, Y Wu, Z Zhang, D Klenerman
ChemBioChem
(2025)
26
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
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
Generating models that describe complex disorder: general discussion
SE Ashbrook, F Blanc, SP Brown, T Charpentier, M Dracinsky, MK Dudek, L Emsley, C Gervais, AL Goodwin, GR Goward, J Griffin, AF Harper, KDM Harris, P Hodgkinson, JB Holmes, MA Hope, CE Hughes, SS Köcher, Z Li, SO Nilsson Lill, C Merlet, AJ Morris, LJ Mueller, SL Price, BJ Rhodes, HS Seleghini
Faraday discussions
(2025)
255
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 discussions
(2025)
255
Formulate a concentrated highly branched poly(β-amino ester)/DNA polyplex - one step closer to application in lung cystic fibrosis disease.
B Qiu, Y Li, Z He, Z Li, S Terreau, X Wang, J Lyu, W Wang, I Lara-Sáez
Drug Development and Industrial Pharmacy
(2025)
51
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
MJ Maristany, A Aguirre Gonzalez, JR Espinosa, J Huertas, R Collepardo-Guevara, JA Joseph
(2025)
Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach
C Carbogno, N Rybin, SP Jand, A Akkoush, CM Acosta, Z Yuan, M Rossi
(2025)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
G Mapstone, TM Kamsma, Z Xu, PK Jones, AA Lee, I Temprano, J Lee, MFL De Volder, AC Forse
(2025)
Deep learning for improving knowledge of the protein families
I Ponamareva
(2025)