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- Currently displaying 5941 - 5960 of 29855 publications
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method.
J Chem Theory Comput
(2019)
15
6504
(doi: 10.1021/acs.jctc.9b00976)
Modelling the potential impacts of the recent, unexpected increase in CFC-11 emissions on total column ozone recovery
Atmospheric Chemistry and Physics
(2019)
1
(doi: 10.5194/acp-2019-747)
Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs
Chemical Science
(2019)
10
9663
(doi: 10.1039/c9sc04242c)
Measuring light scattering and absorption in corals with Inverse Spectroscopic Optical Coherence Tomography (ISOCT): a new tool for non-invasive monitoring.
Scientific reports
(2019)
9
14148
(doi: 10.1038/s41598-019-50658-3)
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias
The Journal of Chemical Physics
(2019)
151
134105
(doi: 10.1063/1.5119729)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
(2019)
(doi: 10.48550/arxiv.1910.00378)
Formation of metal-organic ligand complexes affects solubility of metals in airborne particles at an urban site in the Po valley.
Chemosphere
(2019)
241
125025
The preparation of cucurbit[8]uril-based hydrogels for delivery applications
(2019)
(doi: 10.17863/CAM.89415)
A new world for chemical synthesis?
CHIMIA International Journal for Chemistry
(2019)
73
792
(doi: 10.2533/chimia.2019.792)
Inhibiting Analyte Theft in SERS Substrates: sub-Nanomolar Quantitative Drug Detection
ACS Sens
(2019)
4
2988
(doi: 10.1021/acssensors.9b01484)
Systematic development of rationally designed antibodies targeting predetermined epitopes of interest and protein aggregation
(2019)
(doi: 10.17863/CAM.80163)
Prediction of the allergic mechanism of haptens via a reaction-substructure-compound-target-pathway network system
Toxicol Lett
(2019)
317
68
(doi: 10.1016/j.toxlet.2019.09.019)
COMET: A toolkit for composing customizable genetic programs in mammalian cells
(2019)
(doi: 10.1242/prelights.14175)
Comparing theory and simulation for thermo-osmosis
J Chem Phys
(2019)
151
124109
(doi: 10.1063/1.5123164)
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets
Journal of chemical information and modeling
(2019)
59
4150
(doi: 10.1021/acs.jcim.9b00633)
Text mining assisted review of the literature on Li-O2 batteries
Jphys Materials
(2019)
2
044004
(doi: 10.1088/2515-7639/ab3611)
Fluorescent Supramolecular Polymersomes Based on Pillararene/Paraquat Molecular Recognition for pH-controlled Drug Release
Chinese Journal of Polymer Science
(2019)
38
1
(doi: 10.1007/s10118-019-2305-1)
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective.
ACS applied materials & interfaces
(2019)
11
38697
(doi: 10.1021/acsami.9b12533)