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- Currently displaying 61 - 80 of 30233 publications
optimade-maker: Automated generation of interoperable materials APIs from static data
(2026)
Energy Landscape Analysis of Membrane Proteins Using NMR-Based Hybrid Restraint Potentials.
Journal of Chemical Theory and Computation
(2026)
acs.jctc.5c02070
(doi: 10.1021/acs.jctc.5c02070)
FuzDrop: sequence-based prediction of the propensity of proteins for liquid-liquid phase separation and aggregation.
Nature protocols
(2026)
1
(doi: 10.1038/s41596-025-01267-0)
Determining the key sources of uncertainty in dimethyl sulfide and methanethiol oxidation under tropical, temperate, and polar marine conditions
Atmospheric Chemistry and Physics
(2026)
26
3567
(doi: 10.5194/acp-26-3567-2026)
Toward a unified framework for determining conformational ensembles of disordered proteins.
Nat Methods
(2026)
1
(doi: 10.1038/s41592-026-03003-2)
Design of Tau Aggregation Inhibitors Using Iterative Machine Learning and a Polymorph-Specific Brain-Seeded Fibril Amplification Assay (vol 147, pg 35942, 2025)
Journal of the American Chemical Society
(2026)
148
12423
(doi: 10.1021/jacs.5c18723)
Rational Design of Nanobodies Targeting LINGO-1
Applied Research
(2026)
5
e70071
(doi: 10.1002/appl.70071)
Interplay between Local Diffusion, Concentration, and Inter-Protein Alignment Promotes Cross-β-Sheet Transitions at Condensate Interfaces
(2026)
(doi: 10.64898/2026.03.05.709844)
Constructing a single-objective oblique plane microscope (OPM) for fast, multi-colour, high-resolution volumetric fluorescence imaging
(2026)
(doi: 10.64898/2026.03.04.709686)
Toll-like receptor signaling outcome is determined by the stoichiometry of the endogenous TRIFosome.
Sci Adv
(2026)
12
eaeb9507
(doi: 10.1126/sciadv.aeb9507)
From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution
(2026)
(doi: 10.48550/arxiv.2603.06800)
Vibronically assisted sub-cycle charge transfer at a non-fullerene acceptor heterojunction
Nat Commun
(2026)
17
2165
(doi: 10.1038/s41467-026-70292-8)
DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmation via NMR
Chem Sci
(2026)
(doi: 10.1039/D5SC06988B)
Operando Microscopy of Photosynthetic Microbial Biohybrids Using Fluorescent Chemical Probes.
ACS Electrochemistry
(2026)
2
964
False Metallization in Short-Ranged Machine Learned Interatomic Potentials
(2026)
(doi: 10.48550/arxiv.2603.04228)
Solar Air-to-Fuel Technologies for a Circular Carbon Economy.
J Am Chem Soc
(2026)
148
10267
(doi: 10.1021/jacs.5c21750)
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores
(2026)
(doi: 10.64898/2026.03.02.709004)
Charge-triggered switching mechanism in selenium selector enabling ultralow leakage current
Nature materials
(2026)
25
651
(doi: 10.1038/s41563-026-02499-5)