Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4',6-diamidino-2-phenylindole and DNA duplexes in solution.
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Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structuresThe MM/PBSA and MM/GBSA methods to estimate ligand-binding affinitiesIndolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopyMechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysisEffect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.Computational studies of H5N1 influenza virus resistance to oseltamivir.Long-residency hydration, cation binding, and dynamics of loop E/helix IV rRNA-L25 protein complex.Computational and Experimental Characterization of Patient Derived Mutations Reveal an Unusual Mode of Regulatory Spine Assembly and Drug Sensitivity in EGFR Kinase.Revisiting the association of cationic groove-binding drugs to DNA using a Poisson-Boltzmann approach.Non-Watson-Crick basepairing and hydration in RNA motifs: molecular dynamics of 5S rRNA loop E.Formation pathways of a guanine-quadruplex DNA revealed by molecular dynamics and thermodynamic analysis of the substates.Stereochemistry and position-dependent effects of carcinogens on TATA/TBP binding.A coarse-grained model of DNA with explicit solvation by water and ions.Cations and hydration in catalytic RNA: molecular dynamics of the hepatitis delta virus ribozymeConfigurational entropy change of netropsin and distamycin upon DNA minor-groove binding.Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the UNited RESidue (UNRES) force field for protein simulations.The binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes: in silico study.Molecular docking and dynamics simulations on the interaction of cationic porphyrin-anthraquinone hybrids with DNA G-quadruplexes.Rapid determination of the active fraction of DNA repair glycosylases: a novel fluorescence assay for trapped intermediates.Molecular dynamics simulations of RNA: an in silico single molecule approach.Molecular dynamics simulations and their application to four-stranded DNA.MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein-Protein InterfaceBinding of the bacteriophage P22 N-peptide to the boxB RNA motif studied by molecular dynamics simulations.Molecular dynamics simulations and coupled nucleotide substitution experiments indicate the nature of A{middle dot}A base pairing and a putative structure of the coralyne-induced homo-adenine duplex.Focus on PNA Flexibility and RNA Binding using Molecular Dynamics and Metadynamics.Atomistic-level portrayal of drug-DNA Interplay: a history of courtships and meetings revealed by molecular simulations.B-DNA characteristics are preserved in double stranded d(A)3·d(T)3 and d(G)3·d(C)3 mini-helixes: conclusions from DFT/M06-2X study.Molecular modeling of nucleic Acid structure: setup and analysis.Molecular modeling of nucleic Acid structure: electrostatics and solvation.Molecular dynamics simulations provide insights into the substrate specificity of FAOX family members.Twenty-five years of nucleic acid simulationsMolecular dynamics of water-mediated interactions of a linear benzimidazole-biphenyl diamidine with the DNA minor groove.Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequence selectivityAn investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools.Towards an understanding of DNA recognition by the methyl-CpG binding domain 1.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.In Silico Study, Synthesis, and Cytotoxic Activities of Porphyrin Derivatives.A modular design for minor groove binding and recognition of mixed base pair sequences of DNA.Molecular dynamics simulations and binding free energy analysis of DNA minor groove complexes of curcumin.Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity.
P2860
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P2860
Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4',6-diamidino-2-phenylindole and DNA duplexes in solution.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh
2003年學術文章
@zh-hant
name
Molecular dynamics simulations ...... and DNA duplexes in solution.
@en
Molecular dynamics simulations ...... and DNA duplexes in solution.
@nl
type
label
Molecular dynamics simulations ...... and DNA duplexes in solution.
@en
Molecular dynamics simulations ...... and DNA duplexes in solution.
@nl
prefLabel
Molecular dynamics simulations ...... and DNA duplexes in solution.
@en
Molecular dynamics simulations ...... and DNA duplexes in solution.
@nl
P2093
P50
P356
P1476
Molecular dynamics simulations ...... and DNA duplexes in solution.
@en
P2093
Filip Lankas
Filip Ryjácek
Luc Van Meervelt
Nad'a Spacková
P304
P356
10.1021/JA025660D
P407
P577
2003-02-01T00:00:00Z