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- Currently displaying 461 - 480 of 30170 publications
CO
2
hydration at the air–water interface: A surface-mediated “in-and-out” mechanism
Proceedings of the National Academy of Sciences
(2025)
122
e2502684122
(doi: 10.1073/pnas.2502684122)
Model Agnostic Conditioning of Boltzmann Generators for Peptide Cyclization
(2025)
(doi: 10.1101/2025.08.15.670426)
An unnatural base pair for the detection of epigenetic cytosine modifications in DNA
Nat Chem
(2025)
17
1732
(doi: 10.1038/s41557-025-01925-6)
Quantifying collective interactions in biomolecular phase separation
Nat Commun
(2025)
16
7724
(doi: 10.1038/s41467-025-62437-y)
Current practices in the study of biomolecular condensates: a community comment.
Nature communications
(2025)
16
7730
(doi: 10.1038/s41467-025-62055-8)
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo.
The Journal of chemical physics
(2025)
163
071101
(doi: 10.1063/5.0283254)
Tunable surface potential nanomaterials for enhanced environmental nucleic acid extraction and surveillance.
Water Res
(2025)
287
124428
(doi: 10.1016/j.watres.2025.124428)
Selective <i>endo</i>-Cyclic α-Functionalization of Saturated <i>N</i>-Alkyl Piperidines.
The Journal of Organic Chemistry
(2025)
90
12226
(doi: 10.1021/acs.joc.5c01742)
A Dynamic Silver(I) Nanocluster Holds Together a 3 x 3 Self-Assembled Grid
Journal of the American Chemical Society
(2025)
147
30842
(doi: 10.1021/jacs.5c07271)
How reactive is water at the nanoscale and how to control it?
(2025)
(doi: 10.48550/arxiv.2508.13034)
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
(2025)
(doi: 10.48550/arxiv.2508.13391)
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
(2025)
(doi: 10.1101/2025.08.16.670694)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry
Advanced materials (Deerfield Beach, Fla.)
(2025)
38
e08813
(doi: 10.1002/adma.202508813)
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection
Journal of the American Chemical Society
(2025)
147
31270
(doi: 10.1021/jacs.5c10523)
Energy Landscapes of Model Knotted Polymers
Journal of Chemical Theory and Computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Accelerating Biomolecular Modeling with AtomWorks and RF3.
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
(2025)
(doi: 10.1101/2025.08.14.670059)
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
Macromolecular Theory and Simulations
(2025)
34
e00062
(doi: 10.1002/mats.202500062)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
(2025)
(doi: 10.26434/chemrxiv-2025-qclfl)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries
ACS Electrochem
(2025)
1
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