# Functional form of E\_air

**URL:** <https://ask.bioexcel.eu/t/functional-form-of-e-air/3347>\
**Category:** HADDOCK\
**Created:** [November 22, 2021, 7:22am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347 "2021-11-22T07:22:22Z")\
**Posts on this page:** 6\
**Page:** 1

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**Author:** ![akshaychenna](https://avatars.discourse-cdn.com/v4/letter/a/919ad9/32.png) [@akshaychenna](https://ask.bioexcel.eu/u/akshaychenna)\
**Post date:** [November 22, 2021, 7:22am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/1 "2021-11-22T07:22:22Z")

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Hello all,

I would like to know the functional form of the E\_AIR energy term used in HADDOCK scoring. Is it identical to E\_NOE that was mentioned in the recent YouTube lectures (bioexcel channel) by Prof. Bonvin ?

Thanks,

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [November 22, 2021, 8:45am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/2 "2021-11-22T08:45:35Z")

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Yes it is!

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**Author:** ![akshaychenna](https://avatars.discourse-cdn.com/v4/letter/a/919ad9/32.png) [@akshaychenna](https://ask.bioexcel.eu/u/akshaychenna)\
**Post date:** [November 22, 2021, 9:21am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/3 "2021-11-22T09:21:46Z")

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Thanks a lot for confirming.

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<div class="post-metadata">

**Author:** ![akshaychenna](https://avatars.discourse-cdn.com/v4/letter/a/919ad9/32.png) [@akshaychenna](https://ask.bioexcel.eu/u/akshaychenna)\
**Post date:** [November 22, 2021, 9:42am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/4 "2021-11-22T09:42:50Z")

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Hello again,

A quick information on the same point:

```auto
assign (selection1) (selection2) distance lower-bound correction upper-bound correction

```

If I am right:

L = distance - lower\_bound\_correction  
U = distance + upper\_bound\_correction

Then how is “S” defined in E\_NOE ? What are the coefficients of A,B and C? in E\_NOE.

Any reference/resource/information would be of help as I could not find this information anywhere.

Thanks,

 ![GetImage](https://europe1.discourse-cdn.com/flex013/uploads/bioexcel/original/1X/69d96485462ee377ec71433a3615dc8615f7a113.png)

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<div class="post-metadata">

**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [November 23, 2021, 8:39am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/5 "2021-11-23T08:39:08Z")

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The original paper is:

Nilges, M. (1993). A calculation strategy for the structure determination of symmetric dimers by 1H NMR. _Proteins: Structure, Function, and Bioinformatics_, _17_(3), 297–309. [http://doi.org/10.1002/prot.340170307](http://doi.org/10.1002/prot.340170307)

The value of S used is typically U+2A

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<div class="post-metadata">

**Author:** ![akshaychenna](https://avatars.discourse-cdn.com/v4/letter/a/919ad9/32.png) [@akshaychenna](https://ask.bioexcel.eu/u/akshaychenna)\
**Post date:** [November 23, 2021, 10:26am UTC](https://ask.bioexcel.eu/t/functional-form-of-e-air/3347/6 "2021-11-23T10:26:32Z")

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Thanks a lot again for the information.