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- Currently displaying 7241 - 7260 of 30391 publications
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery.
Bioinformatics
(2019)
35
4656
Effects of α-tubulin acetylation on microtubule structure and stability.
Proceedings of the National Academy of Sciences of the United States of America
(2019)
116
10366
(doi: 10.1073/pnas.1900441116)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
(2019)
(doi: 10.26434/chemrxiv.8089307.v1)
Embedding and Positioning of Two FeII4L4 Cages in Supramolecular Tripeptide Gels for Selective Chemical Segregation
Angewandte Chemie
(2019)
131
8066
(doi: 10.1002/ange.201900429)
Impact of anthropogenic and biogenic sources on the seasonal variation in the molecular composition of urban organic aerosols: a field and laboratory study using ultra-high-resolution mass spectrometry
Atmospheric Chemistry and Physics
(2019)
19
5973
(doi: 10.5194/acp-19-5973-2019)
Embedding and Positioning of Two FeII4L4 Cages in Supramolecular Tripeptide Gels for Selective Chemical Segregation
Angewandte Chemie International Edition
(2019)
58
7982
(doi: 10.1002/anie.201900429)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
(2019)
(doi: 10.48550/arxiv.1905.02626)
Quaternary Ammonium Salt Based NIR-II Probes for in vivo Imaging.
Advanced optical materials
(2019)
7
1900229
(doi: 10.1002/adom.201900229)
Quaternization of Vinyl/Alkynyl Pyridine Enables Ultrafast Cysteine‐Selective Protein Modification and Charge Modulation
Angew Chem Int Ed Engl
(2019)
58
6640
(doi: 10.1002/anie.201901405)
Insights into mechanisms and severity of drug-induced liver injury via computational systems toxicology approach
Toxicology letters
(2019)
312
22
(doi: 10.1016/j.toxlet.2019.05.005)
Intrinsically aggregation-prone proteins form amyloid-like aggregates and contribute to tissue aging in Caenorhabditis elegans.
eLife
(2019)
8
e43059
(doi: 10.7554/eLife.43059)
Integrating Hi-C and FISH data for modeling of the 3D organization of chromosomes
Nature communications
(2019)
10
2049
(doi: 10.1038/s41467-019-10005-6)
Dissecting celastrol with machine learning to unveil dark pharmacology
Chemical communications (Cambridge, England)
(2019)
55
6369
(doi: 10.1039/c9cc03116b)
Probing the Origin of the Toxicity of Oligomeric Aggregates of α-Synuclein with Antibodies.
ACS Chem Biol
(2019)
14
1352
(doi: 10.1021/acschembio.9b00312)
Computational Fluorine Scanning Using Free-Energy Perturbation
Journal of Chemical Information and Modeling
(2019)
59
2776
(doi: 10.1021/acs.jcim.9b00228)
Radiative Effects of Residential Sector Emissions in China: Sensitivity to Uncertainty in Black Carbon Emissions
Journal of Geophysical Research: Atmospheres
(2019)
124
5029
(doi: 10.1029/2018JD030120)
A light-driven burst of hydroxyl radicals dominates oxidation chemistry in newly activated cloud droplets.
Science Advances
(2019)
5
eaav7689
(doi: 10.1126/sciadv.aav7689)
SYSTEMS GENOMICS OF ULCERATIVE COLITIS: COMBINING GWAS, SIGNALLING AND TRANSCRIPTIONAL NETWORKS TO UNCOVER NOVEL PATHOGENIC PATHWAYS
GASTROENTEROLOGY
(2019)
156
S605
Advancing Techniques for Investigating the Enzyme–Electrode Interface
Accounts of Chemical Research
(2019)
52
1439
(doi: 10.1021/acs.accounts.9b00087)