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- Currently displaying 1301 - 1320 of 31108 publications
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model.
J Phys Chem Lett
(2025)
16
2326
(doi: 10.1021/acs.jpclett.5c00165)
Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm
(2025)
(doi: 10.26434/chemrxiv-2025-gxj4r)
Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers
Physical Review Research
(2025)
7
013191
Non-catalytic role for MLL2 in controlling chromatin organisation and mobility during priming of pluripotent cells for differentiation
(2025)
(doi: 10.1101/2025.02.21.639010)
A Highly‐Active Chemodynamic Agent Based on In Situ Generated Copper Complexes from Copper Hexacyanoferrate Nanoparticles
Small
(2025)
21
e2412355
(doi: 10.1002/smll.202412355)
Poly(ADP- ribose) binding sites on collagen I fibrils for nucleating intrafibrillar bone mineral
Proceedings of the National Academy of Sciences
(2025)
122
e2414849122
(doi: 10.1073/pnas.2414849122)
Amphoteric chalcogen-bonding and halogen-bonding rotaxanes for anion or cation recognition
Nature chemistry
(2025)
17
373
(doi: 10.1038/s41557-025-01742-x)
Cold-induced nucleosome dynamics linked to silencing of Arabidopsis FLC
(2025)
(doi: 10.1101/2025.02.17.638618)
The INGENIOUS project: towards understanding air pollution in homes.
Environmental Science Processes and Impacts
(2025)
27
355
(doi: 10.1039/d4em00634h)
Folding of a tandemly knotted protein: Evidence that a polypeptide chain can get out of deep kinetic traps
Protein science : a publication of the Protein Society
(2025)
34
e70048
(doi: 10.1002/pro.70048)
Patchy Charge Distribution Affects the pH in Protein Solutions during Dialysis
Langmuir
(2025)
41
5387
(doi: 10.1021/acs.langmuir.4c04942)
Contorting the hetero phosphaquinoid: synthesis and electronic insights into a non-planar, ferrocenyl phosphaquinoid
Dalton Trans
(2025)
54
3113
(doi: 10.1039/d4dt03542a)
Nature of the Oxygen-Loss-Induced Rocksalt Layer and Its Impact on Capacity Fade in Ni-Rich Layered Oxide Cathodes
ACS Energy Letters
(2025)
10
1313
Overview of Developments in the MRCC Program System.
The Journal of Physical Chemistry A
(2025)
129
2086
(doi: 10.1021/acs.jpca.4c07807)
Energy Landscapes for the Unitary Coupled Cluster Ansatz
J Chem Theory Comput
(2025)
21
1739
(doi: 10.1021/acs.jctc.4c01667)
Comparative receptor modelling for the sources of fine particulate matter (PM2.5) at urban sites in the UK
Atmospheric Environment
(2025)
343
120963
Design of Protein Sequences with Precisely Tuned Kinetic Properties
(2025)
(doi: 10.1101/2025.02.13.638027)
Receptor clustering tunes and sharpens the selectivity of multivalent binding
Proceedings of the National Academy of Sciences of the United States of America
(2025)
122
e2417159122
(doi: 10.1073/pnas.2417159122)
Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun
(2025)
16
1596
(doi: 10.1038/s41467-025-56213-1)
AlphaFold prediction of structural ensembles of disordered proteins
Nature communications
(2025)
16
1632
(doi: 10.1038/s41467-025-56572-9)