about
Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations.Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines.Supramolecular Covalence in Bifurcated Chalcogen Bonding.Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large-Scale Quantum Mechanics Analysis of Experimentally Derived Models.Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands.Lone-pair-π interactions: analysis of the physical origin and biological implications.Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers.Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels.Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties.Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) ComplexesInterpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT CalculationsSubstituting CF2for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic LesionsExploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approachNucleic Acid Quadruplexes Based on 8-Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex StemsTailoring the properties of quadruplex nucleobases for biological and nanomaterial applicationsElectron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts
P50
Q39455094-9748278C-248C-4C2C-961A-049DA8D63C25Q40567690-5BCB598B-7292-4CD1-8416-65AFF5409343Q47398503-CACBF7B5-987E-440B-91C0-A7484D66EAA1Q48044981-EF19D763-11EE-4331-B640-079C0D5C791BQ48046729-1339892C-D0ED-4D46-8472-607104B29CFFQ48058307-446C2F09-86DB-475C-AC16-CF348A0A5934Q50970045-5D631C00-5434-43DE-854F-07C5B54E0454Q51644392-0AEFAD17-152F-4D6E-938E-3D70F5403778Q52331093-A69E7FD7-3975-4919-AAA0-B4D3439D9DFDQ53180549-B6BCA856-5689-4063-84BC-3B602375D2BBQ53805094-B04386FB-2589-42A5-A444-403E1C157399Q57744699-8E052BB7-5736-43AA-A8BC-774F343A5C99Q57744736-922D73DE-0B54-4134-90EA-7490378609F7Q57744764-93EB08C9-894B-4574-B718-E88EE9FFF0B0Q57744778-0C5619E6-0879-429E-8A06-35D1CD2CB625Q57744783-B6957093-F90C-4B79-8B09-EC079EE863ADQ57744789-93153242-7A3E-4535-8FA0-C7A24B2B8C40Q64032884-B38E138E-B5E5-4A83-828D-23A60C77C789
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Jan Novotný
@en
Jan Novotný
@nl
type
label
Jan Novotný
@en
Jan Novotný
@nl
prefLabel
Jan Novotný
@en
Jan Novotný
@nl
P31
P496
0000-0002-1203-9549