All-atom polarizable force field for DNA based on the classical Drude oscillator model
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Close encounters with DNARecent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelAssessing the Current State of Amber Force Field Modifications for DNAModeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange ProcessAll-Atom Molecular Dynamics of Virus Capsids as Drug TargetsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsMetal Ion Modeling Using Classical MechanicsCHARMM additive and polarizable force fields for biophysics and computer-aided drug designInduced Polarization Influences the Fundamental Forces in DNA Base Flipping.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics.Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments.CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.Divalent Ion Dependent Conformational Changes in an RNA Stem-Loop Observed by Molecular DynamicsAn Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsCHARMM-GUI 10 years for biomolecular modeling and simulation.Advances in RNA molecular dynamics: a simulator's guide to RNA force fields.Monte Carlo simulation algorithm for B-DNA.Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fields.GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2.Differential Impact of the Monovalent Ions Li⁺, Na⁺, K⁺, and Rb⁺ on DNA Conformational Properties.Optimizing potentials for a liquid mixture: a new force field for a tert-butanol and water solution.Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.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.Dispersion interactions between urea and nucleobases contribute to the destabilization of RNA by urea in aqueous solution.Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Mapping the Drude polarizable force field onto a multipole and induced dipole model.Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.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.Direct computation of parameters for accurate polarizable force fields.Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field.The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties.CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses.Efficient minimization of multipole electrostatic potentials in torsion space.Decoding the conformation-linked functional properties of nucleic acids by the use of computational tools.Effect of Methylation on Local Mechanics and Hydration Structure of DNA.
P2860
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P2860
All-atom polarizable force field for DNA based on the classical Drude oscillator model
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
@zh
2014年论文
@zh-cn
name
All-atom polarizable force field for DNA based on the classical Drude oscillator model
@en
type
label
All-atom polarizable force field for DNA based on the classical Drude oscillator model
@en
prefLabel
All-atom polarizable force field for DNA based on the classical Drude oscillator model
@en
P2860
P356
P1476
All-atom polarizable force field for DNA based on the classical Drude oscillator model
@en
P2093
Alexey Savelyev
P2860
P304
P356
10.1002/JCC.23611
P577
2014-04-18T00:00:00Z