About: Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory

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About: Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory Goto Sponge NotDistinct Permalink

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scholarly article by Esko Makkonen published in August 2018

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 2018 (uk) article scientifique publié en 2018 (fr) im August 2018 veröffentlichter wissenschaftlicher Artikel (de) scholarly article by Esko Makkonen published in August 2018 (en)
publication date	wds:Q57170073-555DACAE-2B95-4A51-8BA5-43A4535F3295
publication date	2018-08-09 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57170073-681B96D3-B7F9-4BA1-9AD4-FF238731D263
language of work or name	English
cites work	wds:Q57170073-0823DB09-2CDB-47FD-957E-3F4D2F93306A wds:Q57170073-0871E9DB-972B-4007-B285-D4EE01F1B0E4 wds:Q57170073-0AE74B00-024F-464C-823F-93AA3563EEB6 wds:Q57170073-11222B46-6ADC-4575-9AEC-C1BD3528BA7E wds:Q57170073-15F2CBFB-A67A-4C9C-8277-CD6EED994977 wds:Q57170073-222CB571-9D55-441A-A614-7CF762939999 wds:Q57170073-22E4BD5E-2349-4BE5-94C0-DF37E7B1AC1A wds:Q57170073-2C1DB32C-93A6-40D6-852E-3B7792B1F153 wds:Q57170073-2E538683-A214-4572-B9D3-D9F041AB3D57 wds:Q57170073-2E976FDC-30CD-45F9-99B4-06E62B88D2FD wds:Q57170073-3F3BBBB1-068C-4D6F-8126-8203F51624B9 wds:Q57170073-49553DD2-CB2F-44E1-B932-07D7EC116988 wds:Q57170073-4A2C548D-018A-46FE-AD0E-A7CEE0F5C65F wds:Q57170073-52D0E1D8-608F-4404-8C6D-590A463CFAF9 wds:Q57170073-54DB1A5C-5982-4FC9-AC37-5E5C0B00317C wds:Q57170073-56D4EE7D-C939-4CE6-B43F-568D94081609 wds:Q57170073-5B6CBC6E-3B20-4FFE-A98C-614DE99A67D4 wds:Q57170073-5C9FCBA2-5B59-47FD-B69E-96E405D21CDF wds:Q57170073-66155E59-849E-4649-AB23-D5C4BDB6B963 wds:Q57170073-66A3EE38-73DF-47E9-A9C9-96AA21B77D95 wds:Q57170073-6FBBDFDC-2825-4D07-9B91-B86044CFFB89 wds:Q57170073-72CF4DA3-E101-44A9-B0CC-3DC13174EBE5 wds:Q57170073-7961ECB4-8089-49B7-B8EF-857928DB33A1 wds:Q57170073-7AE5FD1C-3757-4D2F-B7F6-FC68F1BB6A37 wds:Q57170073-7B36EBB1-58F8-41BA-AA7C-113858231B2B wds:Q57170073-7BDB2889-F62A-4110-97AE-66926AC27493 wds:Q57170073-7C8C8F7F-3518-4FF9-9DBB-7EBC3ACE222B wds:Q57170073-7D45F9DC-35AE-4558-B3B7-4DCEA833494E wds:Q57170073-85CECEA3-2959-42DC-BFE1-3CA805003BFE wds:Q57170073-94544E74-BD09-4185-876F-E6DE45D58D0E wds:Q57170073-9EF1E148-B58B-4D5A-B68A-2D9E3F22D446 wds:Q57170073-AC1DFBE4-DFC8-493B-926A-17F2A911B1C0 wds:Q57170073-B3D15CEA-E99D-40C7-9F27-87F9AEC9D4E2 wds:Q57170073-BA42138D-5769-49BD-94D7-3A7B675CA4EB wds:Q57170073-C52F456D-C77D-4F9C-8F88-95C99050EBEB wds:Q57170073-CC9221EE-9DCC-4B29-8362-2E8C7ADA2B9F wds:Q57170073-D48BA7FA-FEAE-421A-8D4F-2E2D94D9ED56 wds:Q57170073-D4DCE62A-936D-4B74-B8F2-AD7CCAAC2247 wds:Q57170073-DCE5BD2A-9D24-463E-B21D-C17907945265 wds:Q57170073-DE4481A4-70C8-43C1-B637-230FF00B18D6 wds:Q57170073-ED02572E-A9B4-464D-94FB-6D92703B68D1 wds:Q57170073-EF3BF244-13FF-43B1-9520-71E7D00938C3 wds:Q57170073-FE47D82A-439B-4835-ABAA-106EF2FF0A4C wds:Q57170073-FEBA42E3-3157-4F25-A031-1B779FC2DE9A
cites work	A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions DNA as sensors and imaging agents for metal ions Generalized Gradient Approximation Made Simple Force fields for protein simulations Nucleic acid based molecular devices Highly selective oligonucleotide-based sensor for mercury(II) in aqueous solutions Quantum mechanical continuum solvation models. Live cell surface labeling with fluorescent Ag nanocluster conjugates. A complementary palette of fluorescent silver nanoclusters The performance of hybrid DFT for mechanisms involving transition metal complexes in enzymes Circular dichroism and conformational polymorphism of DNA. Circular dichroism spectroscopy of DNA: from duplexes to quadruplexes Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. Assessment of a Coulomb-attenuated exchange-correlation energy functional DNA-Protected Silver Clusters for Nanophotonics Chiral electronic transitions in fluorescent silver clusters stabilized by DNA. DNA/RNA Detection Using DNA-Templated Few-Atom Silver Nanoclusters. Magic Numbers in DNA-Stabilized Fluorescent Silver Clusters Lead to Magic Colors. Circular dichroism calculation for natural products 1H NMR and circular dichroism studies of the B and Z conformations of the self-complementary deoxyhexanucleotide d(m5C-G-C-G-m5-C-G): mechanism of the Z-B-coil transitions Specific interactions between silver(I) ions and cytosine-cytosine pairs in DNA duplexes Crystal structure of metallo DNA duplex containing consecutive Watson-Crick-like T-Hg(II)-T base pairs Time-dependent density-functional theory in the projector augmented-wave method. Exchange-correlation potential with correct asymptotic behavior Structures, physicochemical properties, and applications of T-Hg(II)-T, C-Ag(I)-C, and other metallo-base-pairs. Structural transitions of calf thymus DNA in concentrated lithium chloride solutions The Role of Hydrogen Bonds in the Stabilization of Silver-Mediated Cytosine Tetramers A metallo-DNA nanowire with uninterrupted one-dimensional silver array. Atomically precise arrays of fluorescent silver clusters: a modular approach for metal cluster photonics on DNA nanostructures Metal Sensing by DNA. Helical structure and circular dichroism spectra of DNA: a theoretical study Silver (I) as DNA glue: Ag(+)-mediated guanine pairing revealed by removing Watson-Crick constraints Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM-B3LYP C,C- and N,C-coupled dimers of 2-aminotetraphenylporphyrins: regiocontrolled synthesis, spectroscopic properties, and quantum-chemical calculations Theoretical calculation of electronic circular dichroism of a hexahydroxydiphenoyl-containing flavanone glycoside Electronic circular dichroism of chiral alkenes: B3LYP and CAM-B3LYP calculations Agreement between experiment and hybrid DFT calculations for O--H bond dissociation enthalpies in manganese complexes Crystal structure of a DNA duplex containing four Ag(i) ions in consecutive dinuclear Ag(i)-mediated base pairs: 4-thiothymine-2Ag(i)-4-thiothymine. Circular dichroism enhancement in large DNA aggregates simulated by a generalized oscillator model. The solvent (water) and metal effects on HOMO-LUMO gaps of guanine base pair: A computational study. Significant role of the DNA backbone in mediating the transition origin of electronic excitations of B-DNA – implication from long range corrected TDDFT and quantified NTO analysis Silver-Stabilized Guanine Duplex: Structural and Optical Properties DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental-Theoretical Case Study of the AT Homo-Oligonucleotide
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