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- Currently displaying 1681 - 1700 of 29867 publications
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
The Journal of Open Source Software
(2024)
9
5984
(doi: 10.21105/joss.05984)
Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
Journal of Applied Crystallography
(2024)
57
20
(doi: 10.1107/s1600576723009925)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank.
Journal of chemical information and modeling
(2024)
64
1172
(doi: 10.1021/acs.jcim.3c01834)
Novel methods to study amyloid oligomers
Biophysical Journal
(2024)
123
41A
(doi: 10.1016/j.bpj.2023.11.331)
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
The Journal of Open Source Software
(2024)
9
5999
(doi: 10.21105/joss.05999)
Imaging Aβ aggregation by liquid-phase transmission electron microscopy
(2024)
(doi: 10.1101/2024.01.29.577710)
Solar reforming as an emerging technology for circular chemical industries.
Nature Reviews Chemistry
(2024)
8
1
(doi: 10.1038/s41570-023-00567-x)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
(2024)
(doi: 10.17863/CAM.111027)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
(2024)
(doi: 10.21203/rs.3.rs-3847495/v1)
Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide
(2024)
(doi: 10.26434/chemrxiv-2024-nwb48)
Engineering Considerations for Practical Lithium-air Electrolytes
Faraday Discuss
(2024)
248
355
(doi: 10.1039/d3fd00091e)
Solvent-dependent iodide interactions in LiO2 electrolytes - a molecular dynamics study.
Faraday Discuss
(2024)
248
145
(doi: 10.1039/d3fd00090g)
Input and output files supporting Extension, Development and Evaluation of the representation of the OH-initiated DMS oxidation mechanism in the MCM v3.3.1 framework
(2024)
(doi: 10.17863/CAM.101652)
Establishing a synthetic orthogonal replication system enables accelerated evolution in <i>E. coli</i>.
Science
(2024)
383
421
(doi: 10.1126/science.adk1281)
Towards unravelling the mechanism and function of exoelectrogenesis in cyanobacteria
(2024)
(doi: 10.17863/CAM.109481)
Improving Antibody Humanness Prediction using Patent Data
(2024)
Thermochemical Valorization of Waste Plastic for Production of Synthetic Fuels, Fine Chemicals, and Carbon Nanotubes
ACS Sustainable Chemistry & Engineering
(2024)
12
1769
Cation-ordering in low-temperature niobium-rich NbWO bronzes: New anodes for high rate Li-ion batteries
(2024)
(doi: 10.21203/rs.3.rs-3693278/v1)
Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity
Journal of chemical information and modeling
(2024)
64
590
(doi: 10.1021/acs.jcim.3c01777)
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
Nat Chem
(2024)
16
154
(doi: 10.1038/s41557-023-01424-6)