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- Currently displaying 6601 - 6620 of 29363 publications
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster Accuracy.
– Journal of chemical theory and computation
(2018)
14,
5068
(doi: 10.1021/acs.jctc.8b00705)
A minimal helical-hairpin motif provides molecular-level insights into misfolding and pharmacological rescue of CFTR
– Communications biology
(2018)
1,
154
(doi: 10.1038/s42003-018-0153-0)
Ln–Pt electron polarization effects on the magnetic relaxation of heterometallic Ho– and Er–Pt complexes
– Dalton Transactions
(2018)
48,
7144
(doi: 10.1039/c8dt03338b)
An Evolved Methanomethylophilus alvus Pyrrolysyl-tRNA Synthetase/tRNA Pair Is Highly Active and Orthogonal in Mammalian Cells
– Biochemistry
(2018)
58,
387
(doi: 10.1021/acs.biochem.8b00808)
Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential
– The Journal of Physical Chemistry Part B
(2018)
122,
8998
(doi: 10.1021/acs.jpcb.8b06476)
Conducting Polymer Paper-Derived Mesoporous 3D N‑doped Carbon Current Collectors for Na and Li Metal Anodes: A Combined Experimental and Theoretical Study
– The Journal of Physical Chemistry C
(2018)
122,
23352
(doi: 10.1021/acs.jpcc.8b07481)
Multivalent Crown Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron
– Angewandte Chemie International Edition
(2018)
57,
14121
(doi: 10.1002/anie.201808534)
Homogeneous Ice Nucleation Rate in Water Droplets
– The Journal of Physical Chemistry C
(2018)
122,
22892
(doi: 10.1021/acs.jpcc.8b04788)
Topological Ring Currents and Bond Currents in Some Neutral and Anionic Altans and Iterated Altans of Corannulene and Coronene
– Journal of Physical Chemistry A
(2018)
122,
7666
(doi: 10.1021/acs.jpca.8b06862)
SAR by kinetics for drug discovery in protein misfolding diseases
– Proc Natl Acad Sci U S A
(2018)
115,
10245
(doi: 10.1073/pnas.1807884115)
Intramolecular π–π Interactions with a Chiral Auxiliary Ligand Control Diastereoselectivity in a Cyclometalated Ir(III) Complex
– Inorganic chemistry
(2018)
57,
12836
Conformational Dynamics Govern the Free-Energy Landscape of a Membrane-Interacting Protein
– ACS Omega
(2018)
3,
12026
(doi: 10.1021/acsomega.8b01609)
Analysis of NRAS RNA G-quadruplex binding proteins reveals DDX3X as a novel interactor of cellular G-quadruplex containing transcripts.
– Nucleic Acids Res
(2018)
46,
11592
(doi: 10.1093/nar/gky861)
Erosion Behavior of API X120 Steel: Effect of Particle Speed and Impact Angle
– Coatings
(2018)
8,
343
(doi: 10.3390/coatings8100343)
Ultrasound-induced gelation of a giant macrocycle.
– Chemical Communications
(2018)
54,
10874
(doi: 10.1039/c8cc04742a)
A high temperature gas flow environment for neutron total scattering studies of complex materials
– Rev Sci Instrum
(2018)
89,
092906
(doi: 10.1063/1.5033464)
Water desorption in Kelvin-probe force microscopy: a generic model
– Nanotechnology
(2018)
29,
505705
(doi: 10.1088/1361-6528/aae413)
Microfluidic deposition for resolving single-molecule protein architecture and heterogeneity.
– Nat Commun
(2018)
9,
3890
(doi: 10.1038/s41467-018-06345-4)
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins.
– Journal of chemical information and modeling
(2018)
58,
1870
(doi: 10.1021/acs.jcim.8b00400)
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening
– Journal of Chemical Information and Modeling
(2018)
58,
2000
(doi: 10.1021/acs.jcim.8b00376)