Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fields.
about
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsCounting the ions surrounding nucleic acids.Cation-Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting.Competitive interaction of monovalent cations with DNA from 3D-RISM.Characterization of Mg2+ Distributions around RNA in Solution.Direct Comparison of Amino Acid and Salt Interactions with Double-Stranded and Single-Stranded DNA from Explicit-Solvent Molecular Dynamics Simulations.Extracting water and ion distributions from solution x-ray scattering experiments.Does Cation Size Affect Occupancy and Electrostatic Screening of the Nucleic Acid Ion Atmosphere?Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization.Differential Deformability of the DNA Minor Groove and Altered BI/BII Backbone Conformational Equilibrium by the Monovalent Ions Li(+), Na(+), K(+), and Rb(+) via Water-Mediated Hydrogen Bonding.Structural Comparisons of PEI/DNA and PEI/siRNA Complexes Revealed with Molecular Dynamics Simulations.Ion-induced alterations of the local hydration environment elucidate Hofmeister effect in a simple classical model of Trp-cage miniprotein.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA.AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids.Competitive Binding of Mg2+ and Na+ Ions to Nucleic Acids: From Helices to Tertiary Structures.
P2860
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P2860
Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fields.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Competition among Li(+), Na(+) ...... rude polarizable force fields.
@en
type
label
Competition among Li(+), Na(+) ...... rude polarizable force fields.
@en
prefLabel
Competition among Li(+), Na(+) ...... rude polarizable force fields.
@en
P2860
P356
P1476
Competition among Li(+), Na(+) ...... Drude polarizable force fields
@en
P2093
Alexey Savelyev
P2860
P304
P356
10.1021/ACS.JPCB.5B00683
P407
P577
2015-03-18T00:00:00Z