Analyzing the robustness of the MM/PBSA free energy calculation method: application to DNA conformational transitions. (Q51607649)

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21 January 2020

title

Analyzing the robustness of the MM/PBSA free energy calculation method: application to DNA conformational transitions (English)

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21 January 2020

Allyn R Brice

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publication date

1 February 2011

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Journal of Computational Chemistry

21 January 2020

published in

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volume

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issue

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page(s)

1431-1440

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Simulation and modeling of nucleic acid structure, dynamics and interactions

21 January 2020

cites work

1 reference

A crystallographic map of the transition from B-DNA to A-DNA.

21 January 2018

1 reference

The dynamics of the B-A transition of natural DNA double helices

21 January 2018

1 reference

3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures

21 January 2018

1 reference

DNA structure: what's in charge?

21 January 2018

1 reference

A molecular level picture of the stabilization of A-DNA in mixed ethanol–water solutions

21 January 2018

1 reference

Polymorphism of DNA double helices

21 January 2018

1 reference

A-form conformational motifs in ligand-bound DNA structures

21 January 2018

1 reference

The statistical-thermodynamic basis for computation of binding affinities: a critical review

21 January 2018

1 reference

Contributions to the binding free energy of ligands to avidin and streptavidin.

21 January 2018

1 reference

Ligand affinities predicted with the MM/PBSA method: dependence on the simulation method and the force field.

21 January 2018

1 reference

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

21 January 2018

1 reference

On the calculation of absolute macromolecular binding free energies

21 January 2018

1 reference

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

21 January 2018

1 reference

Calculation of absolute protein-ligand binding affinity using path and endpoint approaches

21 January 2018

1 reference

Free Energy Landscape of A-DNA to B-DNA Conversion in Aqueous Solution

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

Structure of a B-DNA dodecamer: conformation and dynamics

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

Molecular dynamics simulations at constant pressure and/or temperature

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Generalized born model with a simple smoothing function.

21 January 2018

1 reference

Crystal structure of the B-DNA hexamer d(CTCGAG): model for an A-to-B transition

21 January 2018

1 reference

Poisson-Boltzmann calculations of nonspecific salt effects on protein-protein binding free energies

21 January 2018

1 reference

Implicit solvent simulations of DNA and DNA-protein complexes: agreement with explicit solvent vs experiment

21 January 2018

1 reference

DNA conformation is determined by economics in the hydration of phosphate groups

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.21727

1 reference

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21 January 2020

DBLP publication ID

journals/jcc/BriceD11

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DBLP Dataset 2021-01-02

28 January 2021

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