Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters.
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Close encounters with DNAAssessing the Current State of Amber Force Field Modifications for DNAA Jump-from-Cavity Pyrophosphate Ion Release Assisted by a Key Lysine Residue in T7 RNA Polymerase Transcription ElongationStructural study of a small molecule receptor bound to dimethyllysine in lysozymeMolecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structureStructural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamicsMetal Ion Modeling Using Classical MechanicsThe Unique Binding Mode of Laulimalide to Two Tubulin Protofilaments.Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations.Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.Detecting Allosteric Networks Using Molecular Dynamics SimulationBridging Calorimetry and Simulation through Precise Calculations of Cucurbituril-Guest Binding Enthalpies.The ABCs of molecular dynamics simulations on B-DNA, circa 2012.A critical residue selectively recruits nucleotides for t7 RNA polymerase transcription fidelity control.Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.A combined experimental and theoretical study of ion solvation in liquid N-methylacetamide.A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides.Mass Action in Ionic SolutionsMolecular dynamics study of salt-solution interface: solubility and surface charge of salt in water.Current status of protein force fields for molecular dynamics simulations.Molecular mechanism for preQ1-II riboswitch function revealed by molecular dynamics.Ion-mediated RNA structural collapse: effect of spatial confinement.Effects of MacroH2A and H2A.Z on Nucleosome Dynamics as Elucidated by Molecular Dynamics Simulations.Competitive interaction of monovalent cations with DNA from 3D-RISM.Exploring the Membrane Potential of Simple Dual-Membrane Systems as Models for Gap-Junction Channels.Both DNA global deformation and repair enzyme contacts mediate flipping of thymine dimer damage.Structural insights into dynamics of RecU-HJ complex formation elucidates key role of NTR and stalk region toward formation of reactive state.Influence of a cis,syn-cyclobutane pyrimidine dimer damage on DNA conformation studied by molecular dynamics simulations.Molecular modeling of nucleic Acid structure: setup and analysis.Decoupled side chain and backbone dynamics for proton translocation - M2 of influenza A.Twenty-five years of nucleic acid simulationsSolubility of NaCl in water by molecular simulation revisited.Predicting Ion Effects in an RNA Conformational Equilibrium.T7 RNA polymerase translocation is facilitated by a helix opening on the fingers domain that may also prevent backtracking.Ion-specific adsorption and electroosmosis in charged amorphous porous silica.Potential inhibitory effect of indolizine derivatives on the two enzymes: nicotinamide phosphoribosyltransferase and beta lactamase, a molecular dynamics study.Monte Carlo Tightly Bound Ion Model: Predicting Ion-Binding Properties of RNA with Ion Correlations and FluctuationsMolecular dynamics studies unravel role of conserved residues responsible for movement of ions into active site of DHBPSEasily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus.
P2860
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P2860
Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Molecular dynamics simulations ...... model-specific ion parameters.
@en
Molecular dynamics simulations ...... model-specific ion parameters.
@nl
type
label
Molecular dynamics simulations ...... model-specific ion parameters.
@en
Molecular dynamics simulations ...... model-specific ion parameters.
@nl
prefLabel
Molecular dynamics simulations ...... model-specific ion parameters.
@en
Molecular dynamics simulations ...... model-specific ion parameters.
@nl
P2860
P356
P1476
Molecular dynamics simulations ...... model-specific ion parameters.
@en
P2093
In Suk Joung
P2860
P304
13279-13290
P356
10.1021/JP902584C
P407
P577
2009-10-01T00:00:00Z