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  • Currently displaying 5941 - 5960 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method.
AD Wade, DJ Huggins
J Chem Theory Comput
(2019)
15
Modelling the potential impacts of the recent, unexpected increase in CFC-11 emissions on total column ozone recovery
J Keeble, NL Abraham, AT Archibald, MP Chipperfield, S Dhomse, PT Griffiths, JA Pyle
Atmospheric Chemistry and Physics
(2019)
Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs
H Li, H Valkenier, AG Thorne, CM Dias, JA Cooper, M Kieffer, N Busschaert, PA Gale, DN Sheppard, AP Davis
Chemical Science
(2019)
10
Measuring light scattering and absorption in corals with Inverse Spectroscopic Optical Coherence Tomography (ISOCT): a new tool for non-invasive monitoring.
GLC Spicer, A Eid, D Wangpraseurt, TD Swain, JA Winkelmann, J Yi, M Kühl, LA Marcelino, V Backman
Scientific reports
(2019)
9
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias
A Zen, JG Brandenburg, A Michaelides, D Alfè
The Journal of Chemical Physics
(2019)
151
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
BJ Sutherland, SW Olesen, H Kusumaatmaja, JWR Morgan, DJ Wales
(2019)
Formation of metal-organic ligand complexes affects solubility of metals in airborne particles at an urban site in the Po valley.
A Tapparo, V Di Marco, D Badocco, S D'Aronco, L Soldà, P Pastore, BM Mahon, M Kalberer, C Giorio
Chemosphere
(2019)
241
The preparation of cucurbit[8]uril-based hydrogels for delivery applications
RA Forster
(2019)
A new world for chemical synthesis?
S Ley, Y Chen, D Fitzpatrick, O May
CHIMIA International Journal for Chemistry
(2019)
73
Inhibiting Analyte Theft in SERS Substrates: sub-Nanomolar Quantitative Drug Detection
B de Nijs, C Carnegie, I Szabó, D-B Grys, R Chikkaraddy, M Kamp, SJ Barrow, CA Readman, M-E Kleemann, OA Scherman, E Rosta, JJ Baumberg
ACS Sens
(2019)
4
Molecular interactions and their impact on life sciences
T Scheidt
(2019)
Systematic development of rationally designed antibodies targeting predetermined epitopes of interest and protein aggregation
S Ness
(2019)
Prediction of the allergic mechanism of haptens via a reaction-substructure-compound-target-pathway network system
P Di, Z Wu, H Yang, W Li, Y Tang, G Liu
Toxicol Lett
(2019)
317
Multivalent Supramolecular Systems
P Motloch
(2019)
COMET: A toolkit for composing customizable genetic programs in mammalian cells
Z-H Goh
(2019)
Comparing theory and simulation for thermo-osmosis
K Proesmans, D Frenkel
J Chem Phys
(2019)
151
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets
J Zhang, D Mucs, U Norinder, F Svensson
Journal of chemical information and modeling
(2019)
59
Text mining assisted review of the literature on Li-O2 batteries
A Torayev, PCMM Magusin, CP Grey, C Merlet, AA Franco
Jphys Materials
(2019)
2
Fluorescent Supramolecular Polymersomes Based on Pillararene/Paraquat Molecular Recognition for pH-controlled Drug Release
R Zhao, Y-J Zhou, K-C Jie, J Yang, S Perrier, F-H Huang
Chinese Journal of Polymer Science
(2019)
38
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective.
J Wieme, S Vandenbrande, A Lamaire, V Kapil, L Vanduyfhuys, V Van Speybroeck
ACS applied materials & interfaces
(2019)
11