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  • Currently displaying 7101 - 7120 of 29307 publications
Author(s)
Publication title
Journal Name
Publication year
Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential
FC Mocanu, K Konstantinou, TH Lee, N Bernstein, V Deringer, G Csanyi, S Elliott
J Phys Chem B
(2018)
122
Multivalent Crown Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron
LKS von Krbek, DA Roberts, BS Pilgrim, CA Schalley, JR Nitschke
Angewandte Chemie International Edition
(2018)
57
Homogeneous Ice Nucleation Rate in Water Droplets
JR Espinosa, C Vega, E Sanz
Journal of Physical Chemistry C
(2018)
122
Conducting Polymer Paper-Derived Mesoporous 3D N-doped Carbon Current Collectors for Na and Li Metal Anodes: A Combined Experimental and Theoretical Study
Z Wang, M Li, C Ruan, C Liu, C Zhang, C Xu, K Edström, M Strømme, L Nyholm
The Journal of Physical Chemistry C
(2018)
122
An Evolved Methanomethylophilus alvus Pyrrolysyl-tRNA Synthetase/tRNA Pair Is Highly Active and Orthogonal in Mammalian Cells.
V Beránek, JCW Willis, JW Chin
Biochemistry
(2018)
58
Intramolecular π-π Interactions with a Chiral Auxiliary Ligand Control Diastereoselectivity in a Cyclometalated Ir(III) Complex
DG Congrave, AS Batsanov, M Du, Y Liu, D Zhu, MR Bryce
Inorganic Chemistry
(2018)
57
Analysis of NRAS RNA G-quadruplex binding proteins reveals DDX3X as a novel interactor of cellular G-quadruplex containing transcripts
B Herdy, C Mayer, D Varshney, G Marsico, P Murat, C Taylor, C D'Santos, D Tannahill, S Balasubramanian
Nucleic Acids Research
(2018)
46
SAR by kinetics for drug discovery in protein misfolding diseases.
S Chia, J Habchi, TCT Michaels, SIA Cohen, S Linse, CM Dobson, TPJ Knowles, M Vendruscolo
Proceedings of the National Academy of Sciences
(2018)
115
Conformational Dynamics Govern the Free-Energy Landscape of a Membrane-Interacting Protein.
E Frotscher, G Krainer, A Hartmann, M Schlierf, S Keller
ACS Omega
(2018)
3
Erosion Behavior of API X120 Steel: Effect of Particle Speed and Impact Angle
PC Okonkwo, MH Sliem, MH Sk, RA Shakoor, AMA Mohamed, AM Abdullah, R Kahraman
Coatings
(2018)
8
A high temperature gas flow environment for neutron total scattering studies of complex materials
D Olds, RA Mills, MT McDonnell, J Liu, JR Kim, MT Dunstan, MW Gaultois, SM Everett, MG Tucker, K Page
Review of Scientific Instruments
(2018)
89
Ultrasound-induced gelation of a giant macrocycle
D Núñez-Villanueva, MA Jinks, J Gómez Magenti, CA Hunter
Chemical communications (Cambridge, England)
(2018)
54
ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping.
H Yang, L Sun, Z Wang, W Li, G Liu, Y Tang
Journal of Chemical Information and Modeling
(2018)
58
Microfluidic deposition for resolving single-molecule protein architecture and heterogeneity.
FS Ruggeri, J Charmet, T Kartanas, Q Peter, S Chia, J Habchi, CM Dobson, M Vendruscolo, TPJ Knowles
Nat Commun
(2018)
9
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins
KA Giblin, SJ Hughes, H Boyd, P Hansson, A Bender
Journal of chemical information and modeling
(2018)
58
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening.
I Cortés-Ciriano, NC Firth, A Bender, O Watson
Journal of chemical information and modeling
(2018)
58
A conformational sensor based on genetic code expansion reveals an autocatalytic component in EGFR activation.
M Baumdick, M Gelléri, C Uttamapinant, V Beránek, JW Chin, PIH Bastiaens
Nat Commun
(2018)
9
Effects of random pinning on the potential energy landscape of a supercooled liquid.
SP Niblett, VK de Souza, RL Jack, DJ Wales
J Chem Phys
(2018)
149
Front Cover: Direct Correlation between Adsorption Energetics and Nuclear Spin Relaxation in a Liquid‐saturated Catalyst Material (ChemPhysChem 19/2018)
N Robinson, C Robertson, LF Gladden, SJ Jenkins, C D'Agostino
ChemPhysChem
(2018)
19
In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods
Z Wang, H Yang, Z Wu, T Wang, W Li, Y Tang, G Liu
Chemmedchem
(2018)
13