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Currently displaying 7721 - 7740 of 30913 publications

Computational Fluorine Scanning Using Free-Energy Perturbation.

AD Wade, A Rizzi, Y Wang, DJ Huggins

J Chem Inf Model

(2019)

2776

(doi: 10.1021/acs.jcim.9b00228)

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

5029

(doi: 10.1029/2018JD030120)

Advancing Techniques for Investigating the Enzyme-Electrode Interface

N Kornienko, KH Ly, WE Robinson, N Heidary, JZ Zhang, E Reisner

Acc Chem Res

(2019)

1439

(doi: 10.1021/acs.accounts.9b00087)

NETs generate structured antimicrobial peptide-nucleosome immune complexes with inter-DNA spacings optimal for TLR9 activation

EY Lee, A Leforestier, J Di Domizio, T Curk, L Abbaspour, N Berezhnoy, H Fazli, L Nordenskiold, J Dobnikar, M Gilliet, GC Wong

JOURNAL OF INVESTIGATIVE DERMATOLOGY

(2019)

139

Computational advances in combating colloidal aggregation in drug discovery

D Reker, GJL Bernardes, T Rodrigues

Nature chemistry

(2019)

402

(doi: 10.1038/s41557-019-0234-9)

A light-driven burst of hydroxyl radicals dominates oxidation chemistry in newly activated cloud droplets.

SE Paulson, PJ Gallimore, XM Kuang, JR Chen, M Kalberer, DH Gonzalez

Science advances

(2019)

eaav7689

(doi: 10.1126/sciadv.aav7689)

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

371

(doi: 10.1016/j.fuel.2019.01.128)

ESPResSo++2.0: Advanced methods for multiscale molecular simulation

HV Guzman, N Tretyakov, H Kobayashi, AC Fogarty, K Kreis, J Krajniak, C Junghans, K Kremer, T Stuehn

Computer Physics Communications

(2019)

238

(doi: 10.1016/j.cpc.2018.12.017)

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

Angewandte Chemie (International ed. in English)

(2019)

9054

(doi: 10.1002/anie.201902838)

SYSTEMS GENOMICS OF ULCERATIVE COLITIS: COMBINING GWAS, SIGNALLING AND TRANSCRIPTIONAL NETWORKS TO UNCOVER NOVEL PATHOGENIC PATHWAYS

J Brooks, D Modos, P Sudhakar, B Verstockt, B Alexander-Dann, A Zoufir, D Fazekas, M Tremelling, A Watson, S Carding, S Vermeire, A Bender, T Korcsmaros

GASTROENTEROLOGY

(2019)

156

S605

Enantiopure [Cs

D Zhang, TK Ronson, JL Greenfield, T Brotin, P Berthault, E Léonce, J-L Zhu, L Xu, JR Nitschke

Journal of the American Chemical Society

(2019)

141

8339

(doi: 10.1021/jacs.9b02866)

Bi-Gaussian Stratified Wetting Model on Rough Surfaces.

S Hu, T Reddyhoff, D Puhan, S-C Vladescu, W Huang, X Shi, D Dini, Z Peng

Langmuir : the ACS journal of surfaces and colloids

(2019)

5967

(doi: 10.1021/acs.langmuir.9b00107)

Revised estimate of particulate emissions from Indonesian peat fires in 2015

L Kiely, DV Spracklen, C Wiedinmyer, L Conibear, CL Reddington, S Archer-Nicholls, D Lowe, SR Arnold, C Knote, F Khan, MT Latif, M Kuwata, SH Budisulistiorini, L Syaufina

Atmospheric Chemistry and Physics Discussions

(2019)

(doi: 10.5194/acp-2019-323)

Supplementary material to "Revised estimate of particulate emissions from Indonesian peat fires in 2015"

L Kiely, DV Spracklen, C Wiedinmyer, L Conibear, CL Reddington, S Archer-Nicholls, D Lowe, SR Arnold, C Knote, MF Khan, MT Latif, M Kuwata, SH Budisulistiorini, L Syaufina

(2019)

(doi: 10.5194/acp-2019-323-supplement)

Automated Acceleration of Dataflow-oriented C Applications on FPGA-based Systems

F Peverelli, M Rabozzi, S Cardamone, E Del Sozzo, AJW Thom, MD Santambrogio, L Di Tucci

2019 27TH IEEE ANNUAL INTERNATIONAL SYMPOSIUM ON FIELD-PROGRAMMABLE CUSTOM COMPUTING MACHINES (FCCM)

(2019)

313

(doi: 10.1109/FCCM.2019.00054)

Caco‑2 Monolayer Permeability and Stability of Chamaelirium luteum (False Unicorn) Open-Chain Steroidal Saponins

TP Stockdale, VL Challinor, RP Lehmann, JJ De Voss, JT Blanchfield

ACS Omega

(2019)