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Currently displaying 8181 - 8200 of 29356 publications

3D proteochemometrics: using three-dimensional information of proteins and ligands to address aspects of the selectivity of serine proteases.

V Subramanian, QU Ain, H Henno, L-O Pietilä, JE Fuchs, P Prusis, A Bender, G Wohlfahrt

– Medchemcomm

(2017)

1037

(doi: 10.1039/c6md00701e)

Multisite aggregation of p53 and implications for drug rescue

G Wang, AR Fersht

– Proceedings of the National Academy of Sciences of the United States of America

(2017)

114,

e2634

(doi: 10.1073/pnas.1700308114)

Exciton Coupling of Phenylalanine Reveals Conformational Changes of Cationic Peptides

C Bortolini, L Liu, SV Hoffmann, NC Jones, TPJ Knowles, M Dong

– ChemistrySelect

(2017)

2476

(doi: 10.1002/slct.201601916)

Downstream Processability of Crystal Habit-Modified Active Pharmaceutical Ingredient

N Pudasaini, PP Upadhyay, CR Parker, SU Hagen, AD Bond, J Rantanen

– Organic Process Research and Development

(2017)

21,

571

(doi: 10.1021/acs.oprd.6b00434)

Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model

T Nemoto, RL Jack, V Lecomte

– Physical review letters

(2017)

118,

115702

(doi: 10.1103/physrevlett.118.115702)

Size-Dependent Activity of Palladium Nanoparticles: Efficient Conversion of CO2 into Formate at Low Overpotentials.

M Rahaman, A Dutta, P Broekmann

– ChemSusChem

(2017)

10,

1733

(doi: 10.1002/cssc.201601778)

Transforming the Energy Landscape of a Coiled-Coil Peptide via Point Mutations

K Röder, DJ Wales

– J Chem Theory Comput

(2017)

13,

1468

(doi: 10.1021/acs.jctc.7b00024)

3D structure of individual mammalian genomes studied by single cell Hi-C

TJ Stevens, D Lando, S Basu, LP Atkinson, Y Cao, SF Lee, M Leeb, KJ Wohlfahrt, W Boucher, A O’Shaughnessy-Kirwan, J Cramard, AJ Faure, M Ralser, E Blanco, L Morey, M Sanso, MGS Palayret, B Lehner, L Di Croce, A Wutz, B Hendrich, D Klenerman, ED Laue

– Nature

(2017)

544,

(doi: 10.1038/nature21429)

Solar-driven reforming of lignocellulose to H$_{2}$ with a CdS/CdO$_{x}$ photocatalyst

DW Wakerley, MF Kuehnel, KL Orchard, KH Ly, TE Rosser, E Reisner

– Nature Energy

(2017)

17021

(doi: 10.1038/nenergy.2017.21)

Reversible Redox Cycling of Well-Defined, Ultrasmall Cu/Cu2O Nanoparticles.

SD Pike, ER White, A Regoutz, N Sammy, DJ Payne, CK Williams, MSP Shaffer

– ACS Nano

(2017)

11,

2714

(doi: 10.1021/acsnano.6b07694)

Double-layer ice from first principles

J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides

(2017)

(doi: 10.48550/arxiv.1703.03670)

Hierarchical Self-Assembly of Halogen-Bonded Block Copolymer Complexes into Upright Cylindrical Domains.

R Milani, N Houbenov, F Fernandez-Palacio, G Cavallo, A Luzio, J Haataja, G Giancane, M Saccone, A Priimagi, P Metrangolo, O Ikkala

– Chem

(2017)

417

(doi: 10.1016/j.chempr.2017.02.003)

New methodologies in organic synthesis using the Wolff rearrangement from unsaturated diazoketones

B Bernardim de Souza

(2017)

Silica-Encapsulated Pt-Sn Intermetallic Nanoparticles: A Robust Catalytic Platform for Parahydrogen-Induced Polarization of Gases and Liquids

EW Zhao, R Maligal-Ganesh, C Xiao, T-W Goh, Z Qi, Y Pei, HE Hagelin-Weaver, W Huang, CR Bowers

– Angewandte Chemie International Edition

(2017)

56,

3925

(doi: 10.1002/anie.201701314)

Silica‐Encapsulated Pt‐Sn Intermetallic Nanoparticles: A Robust Catalytic Platform for Parahydrogen‐Induced Polarization of Gases and Liquids

EW Zhao, R Maligal‐Ganesh, C Xiao, T Goh, Z Qi, Y Pei, HE Hagelin‐Weaver, W Huang, CR Bowers

– Angewandte Chemie

(2017)

129,

3983

(doi: 10.1002/ange.201701314)

A semisynthetic Streptococcus pneumoniae serotype 8 glycoconjugate vaccine.

B Schumann, HS Hahm, SG Parameswarappa, K Reppe, A Wahlbrink, S Govindan, P Kaplonek, L-A Pirofski, M Witzenrath, C Anish, CL Pereira, PH Seeberger

– Science translational medicine

(2017)

eaaf5347

(doi: 10.1126/scitranslmed.aaf5347)

Investigation of Ionization Pattern of the Adjacent Acidic Residues in the DXDXE Motif of GH-18 Chitinases Using Theoretical pK

P Meekrathok, P Kukic, JE Nielsen, W Suginta

– Journal of Chemical Information and Modeling

(2017)

57,

572

(doi: 10.1021/acs.jcim.6b00536)

Mass Spectrometry Characterization of Peroxycarboxylic Acids as Proxies for Reactive Oxygen Species and Highly Oxygenated Molecules in Atmospheric Aerosols.

SS Steimer, I Kourtchev, M Kalberer

– Analytical chemistry

(2017)

89,

2873

(doi: 10.1021/acs.analchem.6b04127)