(Q38338648)

2 September 2017

title

Theoretical method for full ab initio calculation of DNA/RNA-ligand interaction energy (English)

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2 September 2017

2

John Z H Zhang

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2 September 2017

Xi H Chen

1

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2 September 2017

language of work or name

English

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publication date

1 June 2004

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Journal of Chemical Physics

2 September 2017

published in

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2 September 2017

volume

120

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2 September 2017

issue

24

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2 September 2017

page(s)

11386-11391

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

2 September 2017

cites work

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Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals

21 January 2018

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Direct calculation of electron density in density-functional theory

21 January 2018

1 reference

Molecular caps for full quantum mechanical computation of peptide–water interaction energy

21 January 2018

1 reference

New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.1737295

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2 September 2017

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