(Q58445869)

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Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results

article by Pavel Hobza et al published July 1996 in Chemical Physics Letters

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Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results (English)

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1 reference

1 reference

P. Hobza

1

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author name string

F. Hubálek

series ordinal

2

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M. Kabeláč

series ordinal

3

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P. Mejzlík

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4

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J. Šponer

series ordinal

5

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J. Vondrášek

series ordinal

6

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publication date

July 1996

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published in

Chemical Physics Letters

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volume

257

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issue

1-2

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page(s)

31-35

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describes a project that uses

AMBER

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based on heuristic

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DOI

10.1016/0009-2614(96)00537-4

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(Q58445869)

Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results

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