Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.
about
Close encounters with DNARecent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsCHARMM additive and polarizable force fields for biophysics and computer-aided drug designDivalent 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.DNA dielectrophoresis: Theory and applications a review.Extracting water and ion distributions from solution x-ray scattering experiments.Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fields.Differential Impact of the Monovalent Ions Li⁺, Na⁺, K⁺, and Rb⁺ on DNA Conformational Properties.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.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.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.AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids.Efficient minimization of multipole electrostatic potentials in torsion space.Decoding the conformation-linked functional properties of nucleic acids by the use of computational tools.
P2860
Q26999396-56AEF50A-FE70-418E-AB89-C57C28E6F9AFQ27024746-9C3823C2-465B-434E-96AD-7F23C60FB269Q28834286-1ADD4BA6-644A-4CBE-A4C7-A264AD3CDB6EQ30365988-0F0E5B3A-B808-4679-835A-23B3ED1E5CD8Q37093260-0300C743-5426-4C2E-BD34-07C110093B31Q37650589-DF498B9D-9B2E-4FF5-95F5-A356A2FA6A9AQ39183775-C84EB0F4-5DDB-4EDD-9E01-9E7715060A26Q39700204-3FC74752-A6C9-40DD-B8F7-5921666DA08EQ41267990-2EC8A2AA-05ED-4477-BBFF-37A2FCB87B83Q41594269-A5089D60-AB5C-4F9B-A166-C61930046DCDQ42404600-84283C83-B80A-490A-B569-010ED5B1A288Q43161754-32B22EC5-269A-4BEA-87C3-EEB159AE5BC2Q46346064-2105C5E6-317C-4CEC-AAE3-148A58D9A2C2Q47309784-63BA81FE-06E9-4081-8DFF-C705C2B4A6C3Q47706435-9B1ED102-34AC-4A51-AE91-1F019B696563Q48041687-68A14C48-1D2A-4B6C-8062-CC407E6B7CE4Q48041716-1ACB8F33-44EC-4A3E-9121-EBC0363C1B90Q50041152-E5CE7C59-1255-4113-BB7B-B003AE7F603DQ52594152-B28BB9B4-ABC9-4B66-9BC2-C8574CD8A1E5Q53519380-8408DE4B-2BAE-4CA1-ABA3-97BD5371FC47
P2860
Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.
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
Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.
@en
type
label
Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.
@en
prefLabel
Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.
@en
P2860
P356
P1476
Balancing the interactions of ions, water, and DNA in the Drude polarizable force field
@en
P2093
Alexey Savelyev
P2860
P304
P356
10.1021/JP503469S
P407
P577
2014-06-09T00:00:00Z