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  • Currently displaying 1301 - 1320 of 31108 publications
Author(s)
Publication title
Journal Name
Publication year
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model.
M Rossi, K Rossi, AM Lewis, M Salanne, A Grisafi
J Phys Chem Lett
(2025)
16
Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm
H Yin, Y Li, W Wang, J Lyu
(2025)
Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers
D Marti-Dafcik, HGA Burton, DP Tew
Physical Review Research
(2025)
7
Non-catalytic role for MLL2 in controlling chromatin organisation and mobility during priming of pluripotent cells for differentiation
M Steindel, O Davis, K Neumann, G Agsu, L Mao, A Kranz, L Pirvan, D Adhya, J Morf, Z Zhang, S Yang, J Fu, M Barile, A Wurmser, SE Strawbridge, N Chalabyan, P Madapura, B Huntly, B Göttgens, D Holcman, SA Samarajiwa, D Klenerman, K Anastassiadis, AF Stewart, S Basu
(2025)
A Highly‐Active Chemodynamic Agent Based on In Situ Generated Copper Complexes from Copper Hexacyanoferrate Nanoparticles
J Bonet-Aleta, JL Hueso, A Valls-Chiva, I Ruiz-Aranda, B Manzanilla, JI Garcia-Peiro, S Aina, E Urriolabeitia, JV Alegre-Requena, J Santamaria
Small
(2025)
21
Poly(ADP- ribose) binding sites on collagen I fibrils for nucleating intrafibrillar bone mineral
M Duer, M Zecca, H Greer, K Muller
Proceedings of the National Academy of Sciences
(2025)
122
Amphoteric chalcogen-bonding and halogen-bonding rotaxanes for anion or cation recognition
YC Tse, A Docker, I Marques, V Félix, PD Beer
Nature chemistry
(2025)
17
Cold-induced nucleosome dynamics linked to silencing of Arabidopsis FLC
M Montez, D Zhu, JH Martin, MJ Maristany, B Rutjens, M Nielsen, R Collepardo-Guevara, C Dean
(2025)
The INGENIOUS project: towards understanding air pollution in homes.
N Carslaw, J Aghaji, SH Budisulistiorini, DC Carslaw, L Chatzidiakou, RW Cheung, TJ Dillon, P Edwards, D Genes, C Giorio, JF Hamilton, E Ikeda, RL Jones, J Lee, AC Lewis, A Kumar, R McEachan, G McFiggans, T Murrels, N Pleace, A Ruangkanit, Y Shao, SP O'Meara, DR Shaw, M Shaw, D Waiblinger, T Warburton, S West, C Wood, T Yang
Environmental Science Processes and Impacts
(2025)
27
Folding of a tandemly knotted protein: Evidence that a polypeptide chain can get out of deep kinetic traps
H Zhang, SE Jackson
Protein science : a publication of the Protein Society
(2025)
34
Patchy Charge Distribution Affects the pH in Protein Solutions during Dialysis
SP Pineda, PM Blanco, R Staňo, P Košovan
Langmuir
(2025)
41
Contorting the hetero phosphaquinoid: synthesis and electronic insights into a non-planar, ferrocenyl phosphaquinoid
R Deka, S Chattopadhyay, A Orthaber
Dalton Trans
(2025)
54
Nature of the Oxygen-Loss-Induced Rocksalt Layer and Its Impact on Capacity Fade in Ni-Rich Layered Oxide Cathodes
NA Shah, GJP Fajardo, H Banerjee, GC Pandey, AS Menon, M Ans, V Majherova, G Bree, S Bolloju, DC Grinter, P Ferrer, PK Thakur, T-L Lee, MJ Loveridge, AJ Morris, CP Grey, LFJ Piper
ACS Energy Letters
(2025)
10
Overview of Developments in the MRCC Program System.
D Mester, PR Nagy, J Csóka, L Gyevi-Nagy, PB Szabó, RA Horváth, K Petrov, B Hégely, B Ladóczki, G Samu, BD Lőrincz, M Kállay
The Journal of Physical Chemistry A
(2025)
129
Energy Landscapes for the Unitary Coupled Cluster Ansatz
C Boy, M-A Filip, DJ Wales
J Chem Theory Comput
(2025)
21
Comparative receptor modelling for the sources of fine particulate matter (PM2.5) at urban sites in the UK
D Srivastava, S Saksakulkrai, WJF Acton, DJ Rooney, J Hall, S Hou, M Wolstencroft, S Bartington, RM Harrison, Z Shi, WJ Bloss
Atmospheric Environment
(2025)
343
Design of Protein Sequences with Precisely Tuned Kinetic Properties
ZF Brotzakis, M Vendruscolo, G Skretas
(2025)
Receptor clustering tunes and sharpens the selectivity of multivalent binding
Z Xie, S Angioletti-Uberti, J Dobnikar, D Frenkel, T Curk
Proceedings of the National Academy of Sciences of the United States of America
(2025)
122
Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
JA Newman, AE Gavard, N Imprachim, H Aitkenhead, HE Sheppard, R Te Poele, PA Clarke, MA Hossain, L Temme, HJ Oh, CI Wells, ZW Davis-Gilbert, P Workman, O Gileadi, DH Drewry
Nat Commun
(2025)
16
AlphaFold prediction of structural ensembles of disordered proteins
ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo
Nature communications
(2025)
16