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  • Currently displaying 761 - 780 of 30849 publications
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Current practices in the study of biomolecular condensates: a community comment
S Alberti, P Arosio, RB Best, S Boeynaems, D Cai, R Collepardo-Guevara, GL Dignon, R Dimova, S Elbaum-Garfinkle, NL Fawzi, M Fuxreiter, AS Gladfelter, A Honigmann, A Jain, JA Joseph, TPJ Knowles, K Lasker, EA Lemke, K Lindorff-Larsen, R Lipowsky, J Mittal, S Mukhopadhyay, S Myong, RV Pappu, K Rippe, TA Shelkovnikova, AG Vecchiarelli, S Wegmann, H Zhang, M Zhang, C Zubieta, M Zweckstetter, D Dormann, T Mittag
Nature communications
(2025)
16
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo
F Della Pia, G Kler-Young, A Zen, F Berger, D Alfè, A Michaelides
The Journal of Chemical Physics
(2025)
163
Tunable surface potential nanomaterials for enhanced environmental nucleic acid extraction and surveillance
J Lv, T Li, Y Liu, B Li, P Jia, C Ma, H Xiao, G Wang, L Cheng, J Yang, Z Xu, X Tan, Z Jin, J-X Li, R Li, S Sun, E Huang, P-L Shao, B Zhang
Water Res
(2025)
287
aims-PAX: Parallel Active eXploration for the automated construction of Machine Learning Force Fields
T Henkes, S Sharma, A Tkatchenko, M Rossi, I Poltavskyi
(2025)
Selective endo-Cyclic α‑Functionalization of Saturated N‑Alkyl Piperidines
RC Phillips, JCK Chu, AA Rafaniello, MJ Gaunt
The Journal of Organic Chemistry
(2025)
90
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
(2025)
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
N O'Neill, BX Shi, W Baldwin, WC Witt, G Csányi, JD Gale, A Michaelides, C Schran
(2025)
A Dynamic Silver(I) Nanocluster Holds Together a 3 × 3 Self-Assembled Grid
AW Heard, L Pesce, PT Gierth, S Adorinni, TK Ronson, B Rossi, JD Thoburn, T Deingruber, M Welch, DR Spring, S Marchesan, GM Pavan, JR Nitschke
Journal of the American Chemical Society
(2025)
147
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
H Zhang, RI Horne, ZF Brotzakis, C Harris, P Liò, M Vendruscolo
(2025)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry.
H Zhang, W Tian, J Lin, P Zhang, G Shao, SK Ravi, H Sun, E Cortés, V Andrei, S Wang
Advanced Materials
(2025)
38
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.
G Markiewicz, X Qiu, G Avci, EH Wolpert, KE Jelfs, JKM Sanders, AR Stefankiewicz
Journal of the American Chemical Society
(2025)
147
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
MD Overath, ASH Rygaard, CP Jacobsen, V Brasas, O Morell, P Sormanni, TP Jenkins
(2025)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
K Petzall, BJ Rhodes, Y Wang, T Trisukhon, H Kukreja, SA Lim, PJ Milner, AC Forse
(2025)
Accelerating Biomolecular Modeling with AtomWorks and RF3.
N Corley, S Mathis, R Krishna, MS Bauer, TR Thompson, W Ahern, MW Kazman, RI Brent, K Didi, A Kubaney, L McHugh, A Nagle, A Favor, M Kshirsagar, P Sturmfels, Y Li, J Butcher, B Qiang, LL Schaaf, R Mitra, K Campbell, O Zhang, R Weissman, IR Humphreys, Q Cong, J Funk, S Sonthalia, P Liò, D Baker, F DiMaio
bioRxiv
(2025)
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
H Yin, Y Li, J Lyu
Macromolecular Theory and Simulations
(2025)
34
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries
E Latchem, T Kress, MA de h-Óra, A Wang, Q Song, A Forse
ACS Electrochem
(2025)
1
Energy Landscapes of Model Knotted Polymers
T Hao, Y Ge, MA Miller, A L N Francesco, DJ Wales
Journal of Chemical Theory and Computation
(2025)
21
An accurate and efficient framework for modelling the surface chemistry of ionic materials
BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides
Nature chemistry
(2025)
17
Celebrating the 60th birthday and achievements of Professor Ulli Steiner
S Guldin, M Kolle, S Vignolini, BD Wilts
Soft matter
(2025)
21
Learning radical excited states from sparse data.
J Shen, LE Walker, K Ma, JD Green, H Bronstein, KT Butler, TJH Hele
Chemical science
(2025)
16