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  • Currently displaying 6381 - 6400 of 29893 publications
Author(s)
Publication title
Journal Name
Publication year
Performance of interFoam on the simulation of progressive waves
BE Larsen, DR Fuhrman, J Roenby
Coastal Engineering Journal
(2019)
61
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
HGA Burton, AJW Thom
Journal of Chemical Theory and Computation
(2019)
15
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
HGA Burton, A Thom
(2019)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
HGA Burton, AJW Thom
(2019)
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
KR Daellenbach, I Kourtchev, AL Vogel, EA Bruns, J Jiang, T Petäjä, J-L Jaffrezo, S Aksoyoglu, M Kalberer, U Baltensperger, IE Haddad, ASH Prévôt
Atmospheric Chemistry and Physics
(2019)
19
Embedding and Positioning of Two Fe
M Kieffer, AM Garcia, CJE Haynes, S Kralj, D Iglesias, JR Nitschke, S Marchesan
Angewandte Chemie International Edition
(2019)
58
Embedding and Positioning of Two FeII4L4 Cages in Supramolecular Tripeptide Gels for Selective Chemical Segregation
M Kieffer, AM Garcia, CJE Haynes, S Kralj, D Iglesias, JR Nitschke, S Marchesan
Angewandte Chemie
(2019)
131
Quaternization of Vinyl/Alkynyl Pyridine Enables Ultrafast Cysteine-Selective Protein Modification and Charge Modulation
MJ Matos, CD Navo, T Hakala, X Ferhati, A Guerreiro, D Hartmann, B Bernardim, KL Saar, I Compañón, F Corzana, TPJ Knowles, G Jiménez-Osés, GJL Bernardes
Angewandte Chemie International Edition
(2019)
58
Quaternary Ammonium Salt Based NIR‐II Probes for In Vivo Imaging
C Qu, Y Xiao, H Zhou, B Ding, A Li, J Lin, X Zeng, H Chen, K Qian, X Zhang, W Fang, J Wu, Z Deng, Z Cheng, X Hong
Adv Opt Mater
(2019)
7
Insights into mechanisms and severity of drug-induced liver injury via computational systems toxicology approach
Y Peng, Z Wu, H Yang, Y Cai, G Liu, W Li, Y Tang
Toxicology letters
(2019)
312
Using Deep Learning to Annotate the Protein Universe
ML Bileschi, D Belanger, D Bryant, T Sanderson, B Carter, D Sculley, MA DePristo, LJ Colwell
(2019)
Dissecting celastrol with machine learning to unveil dark pharmacology.
T Rodrigues, BP de Almeida, NL Barbosa-Morais, GJL Bernardes
Chem Commun (Camb)
(2019)
55
Intrinsically aggregation-prone proteins form amyloid-like aggregates and contribute to tissue aging in Caenorhabditis elegans
C Huang, S Wagner-Valladolid, AD Stephens, R Jung, C Poudel, T Sinnige, MC Lechler, N Schlörit, M Lu, RF Laine, CH Michel, M Vendruscolo, CF Kaminski, GS Kaminski Schierle, DC David
eLife
(2019)
8
Probing the Origin of the Toxicity of Oligomeric Aggregates of α-Synuclein with Antibodies
R Cascella, M Perni, SW Chen, G Fusco, C Cecchi, M Vendruscolo, F Chiti, CM Dobson, A De Simone
ACS Chem Biol
(2019)
14
Radiative Effects of Residential Sector Emissions in China: Sensitivity to Uncertainty in Black Carbon Emissions
S Archer‐Nicholls, D Lowe, F Lacey, R Kumar, Q Xiao, Y Liu, E Carter, J Baumgartner, C Wiedinmyer
Journal of Geophysical Research: Atmospheres
(2019)
124
Computational Fluorine Scanning Using Free-Energy Perturbation.
AD Wade, A Rizzi, Y Wang, DJ Huggins
J Chem Inf Model
(2019)
59
Carboxylate-Assisted Oxidative Addition to Aminoalkyl PdII Complexes: C(sp3)−H Arylation of Alkylamines by Distinct PdII/PdIV Pathway
MJ Gaunt, W Whitehurst, JH Blackwell, G Hermann
Angew Chem Int Ed Engl
(2019)
58
Computational advances in combating colloidal aggregation in drug discovery
D Reker, GJL Bernardes, T Rodrigues
Nature Chemistry
(2019)
11
Advancing Techniques for Investigating the Enzyme–Electrode Interface
N Kornienko, KH Ly, WE Robinson, N Heidary, JZ Zhang, E Reisner
Acc Chem Res
(2019)
52
Sustainability of using vineyard pruning residues as an energy source: Combustion performances and environmental impact
C Giorio, S Pizzini, E Marchiori, R Piazza, S Grigolato, M Zanetti, R Cavalli, M Simoncin, L Soldà, D Badocco, A Tapparo
Fuel
(2019)
243