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- Currently displaying 3721 - 3740 of 29858 publications
New Frontiers for Machine Learning in Protein Science
J Mol Biol
(2021)
433
167232
(doi: 10.1016/j.jmb.2021.167232)
Aggregation Condition-Structure Relationship of Mouse Prion Protein Fibrils
International journal of molecular sciences
(2021)
22
9635
(doi: 10.3390/ijms22179635)
Halogen‐Bonding Strapped Porphyrin BODIPY Rotaxanes for Dual Optical and Electrochemical Anion Sensing
Chemistry - A European Journal
(2021)
27
14550
(doi: 10.1002/chem.202102493)
Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles.
Chemistry – A European Journal
(2021)
27
13725
(doi: 10.1002/chem.202102483)
Single-route delaminated clay composites for efficient visible-light photo-mineralization of antibiotic-resistant bacteria and associated genes in water
Applied Catalysis B Environment and Energy
(2021)
292
120143
(doi: 10.1016/j.apcatb.2021.120143)
Protein Structure Prediction Using a Maximum Likelihood Formulation of a Recurrent Geometric Network
(2021)
2021.09.03.458873
(doi: 10.1101/2021.09.03.458873)
Assessment of Therapeutic Antibody Developability by Combinations of In Vitro and In Silico Methods.
Methods in Molecular Biology
(2021)
2313
57
(doi: 10.1007/978-1-0716-1450-1_4)
A fast, low-energy multi-state phase-change artificial synapse based on uniform partial-state transitions
APL Materials
(2021)
9
091103
(doi: 10.1063/5.0056656)
Prediction and identification of synergistic compound combinations against pancreatic cancer cells.
iScience
(2021)
24
103080
(doi: 10.1016/j.isci.2021.103080)
Opinion: The germicidal effect of ambient air (open-air factor) revisited
Atmospheric Chemistry and Physics
(2021)
21
13011
(doi: 10.5194/acp-21-13011-2021)
Nanoparticle surfactants for kinetically-arrested photoactive assemblies to track light-induced electron transfer
Nature nanotechnology
(2021)
16
1121
(doi: 10.1038/s41565-021-00949-6)
Synthesis of a Diverse and Three-Dimensional Fragment Collection and The Development of a Novel Platform for Antibody Dual Functionalisation
(2021)
(doi: 10.17863/CAM.78998)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
(2021)
(doi: 10.17863/CAM.80344)
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation.
Protein & Peptide Letters
(2021)
28
963
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
Journal of Volcanology and Geothermal Research
(2021)
417
107295
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters
Journal of chemical theory and computation
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
The Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
s124