(Q44860901)

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Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer in crystal environment: comparison of atomic point-charge, extra-point, and polarizable force fields

scientific article published in October 2004

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Europe PubMed Central

PubMed publication ID

6 December 2017

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer in crystal environment: comparison of atomic point-charge, extra-point, and polarizable force fields (English)

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

Miguel Fuentes-Cabrera

3

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

author name string

Jason Baucom

1

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

Thomas Transue

2

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Europe PubMed Central

PubMed publication ID

6 December 2017

J M Krahn

4

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

Thomas A Darden

5

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Europe PubMed Central

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6 December 2017

Celeste Sagui

6

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Europe PubMed Central

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6 December 2017

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publication date

1 October 2004

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Europe PubMed Central

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6 December 2017

Journal of Chemical Physics

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6 December 2017

121

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6 December 2017

14

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Europe PubMed Central

PubMed publication ID

6 December 2017

6998-7008

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

Nucleic acids: theory and computer simulation, Y2K.

1 reference

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21 January 2018

Molecular dynamics applied to nucleic acids

1 reference

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21 January 2018

Molecular dynamics simulations of biomolecules: long-range electrostatic effects

1 reference

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21 January 2018

Observation of the A-DNA to B-DNA transition during unrestrained molecular dynamics in aqueous solution

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer: influence of the crystal environment.

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

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

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21 January 2018

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

1 reference

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Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulations

1 reference

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21 January 2018

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations

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21 January 2018

One- and two-electron integrals over cartesian gaussian functions

1 reference

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21 January 2018

Force fields for protein simulations

1 reference

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21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

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21 January 2018

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

1 reference

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21 January 2018

A-form conformational motifs in ligand-bound DNA structures

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

Alpha/gamma transitions in the B-DNA backbone

1 reference

https://api.crossref.org/works/10.1063%2F1.1788631

21 January 2018

Two distinct modes of protein-induced bending in DNA.

1 reference

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21 January 2018

"...the tyranny of the lattice...".

1 reference

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21 January 2018

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

1 reference

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21 January 2018

Identifiers

10.1063/1.1788631

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

6 December 2017

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